SCHEMBL2074919

SCHEMBL2074919

CCC(c1cc(S(=O)(=O)O)ccc1C)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
SNCA P37840 1/20 0.35
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 3/20 0.34
CASR P41180 2/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
S1PR3 Q99500 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NT5E P21589 1/20 0.32

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
SCHEMBL9568576 0.82 HTT (0.38) HTTSNCAALDH1A1HSD17B10CASR
SCHEMBL9615906 0.81 HTT (0.43) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL600325 0.79 ALDH1A1 (0.36) HTTSNCAALDH1A1HSD17B10CASR
SCHEMBL644415 0.77 CYP1A2 (0.36) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9568601 0.77 NR1I2 (0.35) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9101581 0.76 HTT (0.43) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL17417188 0.76 HTT (0.54) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9542136 0.76 CA2 (0.36) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL10954377 0.76 HTT (0.34) HTTSNCAALDH1A1HSD17B10CASR
SCHEMBL28564255 0.76 LMNA (0.42) HTTSNCAALDH1A1LMNAMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109894-A1 SYNTHESIS OF 3-({5-CHLORO-1-[3-(METHYLSULFONYL)PROPYL]-1H-INDOL-2-YL} METHYL)-1-(2,2,2-TRIFLUOROETHYL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-04-04 US disclosed
EP-4051662-B1 SYNTHESIS OF 3-({5-CHLORO-1-[3-(METHYLSULFONYL)PROPYL]-1H-INDOL-2 YL}METHYL)-1-(2,2,2-TRIFLUOROETHYL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-02-07 EP disclosed
WO-2021083998-A1 SYNTHESIS OF 3-({5-CHLORO-1-[3-(METHYLSULFONYL)PROPYL]-1H-INDOL-2 YL} METHYL)-1-(2,2,2-TRIFLUOROETHYL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE Janssen Sciences Ireland Unlimited Company (IE) 2021-05-06 WO disclosed
EP-3092240-B1 ISOPROPYL TRIAZOLO PYRIDINE COMPOUNDS LILLY CO ELI (US) 2018-12-05 EP disclosed
US-9809592-B2 Isopropyl triazolo pyridine compounds ELI LILLY AND COMPANY (US) 2017-11-07 US disclosed
US-20160333005-A1 ISOPROPYL TRIAZOLO PYRIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2016-11-17 US disclosed
CN-105246875-A Indane derivative, preparation method therefor, and pharmaceutical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-01-13 CN disclosed
WO-2015032328-A1 INDANE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2015-03-12 WO disclosed
EP-2470546-B1 HEXAHYDROOXAZINOPTERIDINE COMPOUNDS FOR USE AS MTOR INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-07-24 EP disclosed
US-8268819-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-18 US disclosed
US-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-12 US disclosed
EP-2470546-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-07-04 EP disclosed
US-8163755-B2 Hexahydrooxazinopterine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
WO-2011025889-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS FOR USE AS mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 WO disclosed
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 US disclosed
US-20100197761-A1 Fused cyclic compounds YASUMA TSUNEO 2010-08-05 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO 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 (5 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-20160333005-A1 ISOPROPYL TRIAZOLO PYRIDINE COMPOUNDS INSR, INSRR, GPR119 HTT 3609/4885SNCA 4177/4885ALDH1A1 2406/4885
US-20120178924-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS HPRT1, HCCS, NUDT1 HTT 880/4885SNCA 4002/4885ALDH1A1 2074/4885
US-20240109894-A1 SYNTHESIS OF 3-({5-CHLORO-1-[3-(METHYLSULFONYL)PROPYL]-1H-INDOL-2-YL} METHYL)-1-(2,2,2-TRIFLUOROETHYL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE HTR3C, MECP2, CDK2 HTT 2786/4885SNCA 1781/4885ALDH1A1 1540/4885
US-20110053921-A1 HEXAHYDROOXAZINOPTERINE COMPOUNDS MTOR, RICTOR, EIF4EBP1 HTT 174/4885SNCA 4658/4885ALDH1A1 4123/4885
US-20100197761-A1 Fused cyclic compounds GPR119, GLP1R, GPR65 HTT 3209/4885SNCA 4838/4885ALDH1A1 3122/4885

“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.