SCHEMBL8773610

SCHEMBL8773610

CCCOc1cc(C(=O)O)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
PTPN11 Q06124 2/20 0.51
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CREBBP Q92793 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
PLA2G4B P0C869 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL2499117 0.92 TP53 (0.58) PTPN11TSHRALDH1A1HPGDTP53
SCHEMBL177193 0.87 THRA (0.56) KMT2APTPN11TSHRPOLBCASP6
SCHEMBL1932820 0.87 TSHR (0.66) KMT2ATSHRPOLBCASP6ALDH1A1
SCHEMBL1346383 0.86 POLB (0.49) PTPN11TSHRPOLBCASP6ALDH1A1
SCHEMBL21725000 0.86 SMN1; SMN2 (0.46) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4910176 0.85 POLB (0.44) PTPN11TSHRPOLBCASP6ALDH1A1
SCHEMBL566516 0.85 POLB (0.66) KMT2APTPN11TSHRPOLBCASP6
SCHEMBL3901339 0.84 MAPT (0.48) KMT2APOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL3488019 0.84 TSHR (0.48) KMT2APTPN11TSHRPOLBCASP6
SCHEMBL9996991 0.84 POLB (0.43) PTPN11TSHRPOLBCASP6ALDH1A1

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-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-11-16 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US disclosed
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2022-11-17 US disclosed
EP-3837262-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF Amgen Inc. (US) 2021-06-23 EP disclosed
WO-2020036940-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2020-02-20 WO disclosed
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 US disclosed
US-8557998-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2013-10-15 US disclosed
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-10-11 US disclosed
US-8232405-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 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 (10 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-11708334-B2 Inhibitors of NLRP3 inflammasome NLRP3, NLRP1, PYCARD KMT2A 4379/4885PTPN11 2981/4885TSHR 4615/4885
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B KMT2A 307/4885PTPN11 3869/4885TSHR 402/4885
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 KMT2A 669/4885PTPN11 3348/4885TSHR 3170/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 KMT2A 669/4885PTPN11 3348/4885TSHR 3170/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 KMT2A 4544/4885PTPN11 3662/4885TSHR 4549/4885
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof CYP3A7, CYP51A1, NT5C3B KMT2A 2971/4885PTPN11 1172/4885TSHR 3317/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 KMT2A 669/4885PTPN11 3348/4885TSHR 3170/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD KMT2A 4633/4885PTPN11 3886/4885TSHR 4572/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 KMT2A 4544/4885PTPN11 3662/4885TSHR 4549/4885
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF CYP3A7, CYP51A1, NT5C3B KMT2A 2971/4885PTPN11 1172/4885TSHR 3317/4885

“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.