SCHEMBL312280

SCHEMBL312280

Nc1ccccc1CCCCCC=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
FDPS P14324 1/20 0.35
TSHR P16473 1/20 0.34
BID P55957 3/20 0.33
BCL2L1 Q07817 3/20 0.33
MCL1 Q07820 3/20 0.33
BAK1 Q16611 3/20 0.33
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
MMP2 P08253 2/20 0.33
ALOX15 P16050 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ECE1 P42892 1/20 0.33
SGMS1 Q86VZ5 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
MUS81 Q96NY9 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SAE1 Q9UBE0 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11193980 0.92 SIGMAR1 (0.39) SIGMAR1FDPSTSHRALOX15KDM4E
SCHEMBL5983920 0.84 FDPS (0.39) SIGMAR1FDPSTSHRALOX15KDM4E
SCHEMBL23159817 0.84 SIGMAR1 (0.46) SIGMAR1FDPSTSHRALOX15LIPG
Hydrochloric Acid SCHEMBL7061051 0.82 FDPS (0.38) SIGMAR1FDPSALOX15CYP3A4CASP1
SCHEMBL23159850 0.82 ALOX15 (0.47) SIGMAR1FDPSTSHRALOX15LIPG
Butanal SCHEMBL3772282 0.81 ALDH1A1 (0.40) SIGMAR1TSHRBIDBCL2L1MCL1
SCHEMBL11912455 0.78 TAAR1 (0.47) TSHRBIDBCL2L1MCL1BAK1
SCHEMBL10986621 0.78 MGLL (0.56) TSHRBIDBCL2L1MCL1BAK1
SCHEMBL11565109 0.78 TAAR1 (0.47) TSHRBIDBCL2L1MCL1BAK1
SCHEMBL5535994 0.78 TAAR1 (0.47)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea SYMBERIX, INC. (US) 2024-06-25 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20220125778-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING BETA-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA SYMBERIX INC (US) 2022-04-28 US disclosed
US-20210094917-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING B-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA SYMBERIX, INC. 2021-04-01 US disclosed
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2021-01-26 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10208050-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
EP-1562940-A2 ARYL SULFONAMIDES ChemoCentryx Inc (US) 2005-08-17 EP disclosed
US-20050165067-A1 Aryl sulfonamides CHEMOCENTRYX 2005-07-28 US disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 US disclosed
US-20050137179-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2005-06-23 US disclosed
WO-2004085384-A2 BIS-ARYL SULFONAMIDES CHEMOCENTRYX (US) 2004-10-07 WO disclosed
US-20040171654-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2004-09-02 US disclosed
US-20040167113-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2004-08-26 US disclosed
WO-2004046092-A2 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2004-06-03 WO disclosed
US-4518603-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1985-05-21 US disclosed
US-4480100-A CHEMICAL INTERMEDIATES FOR ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1984-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220125778-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING BETA-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA GUSB, SI, ENGASE SIGMAR1 2209/4885FDPS 1447/4885TSHR 4484/4885
US-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 SIGMAR1 599/4885FDPS 2566/4885TSHR 1005/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SIGMAR1 540/4885FDPS 3591/4885TSHR 1094/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 SIGMAR1 599/4885FDPS 2566/4885TSHR 1005/4885
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 SIGMAR1 1516/4885FDPS 1953/4885TSHR 1442/4885
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea GUSB, SI, ENGASE SIGMAR1 2284/4885FDPS 1648/4885TSHR 4477/4885
US-20050137179-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 SIGMAR1 270/4885FDPS 1548/4885TSHR 605/4885
US-20210094917-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING B-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA GUSB, SI, UGT2B7 SIGMAR1 2504/4885FDPS 1830/4885TSHR 4350/4885
US-20040167113-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 SIGMAR1 270/4885FDPS 1548/4885TSHR 605/4885
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 SIGMAR1 1516/4885FDPS 1953/4885TSHR 1442/4885
US-20040171654-A1 Aryl sulfonamides CCR9, CCR1, CCR2 SIGMAR1 599/4885FDPS 2566/4885TSHR 1005/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SIGMAR1 540/4885FDPS 3591/4885TSHR 1094/4885
US-10208050-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 SIGMAR1 1516/4885FDPS 1953/4885TSHR 1442/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SIGMAR1 540/4885FDPS 3591/4885TSHR 1094/4885
US-20050165067-A1 Aryl sulfonamides CCR9, CCR1, CCR2 SIGMAR1 599/4885FDPS 2566/4885TSHR 1005/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.