SCHEMBL16618296

SCHEMBL16618296

C[C@@H](O)c1cc(Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.44
PDE2A O00408 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
KCNH2 Q12809 1/20 0.41
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL30806659 1.00 TP53 (0.47) TP53HTTLMNAALDH1A1TSHR
SCHEMBL17946909 1.00 TP53 (0.47) TP53HTTLMNAALDH1A1TSHR
SCHEMBL1125463 1.00 TP53 (0.47) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050878 0.83 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050881 0.83 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL30375129 0.83 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050738 0.83 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050737 0.83 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL30374984 0.83 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050740 0.83 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 US disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
CN-104650049-A Substitutive pyridine compound and application method and application thereof GUANGDONG HEC PHARMACEUTICAL 2015-05-27 CN disclosed
WO-2015051043-A1 BIARYL ACYL-SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2015-04-09 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 (3 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-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors SCN1A, SCN1B, SCN5A TP53 4819/4885HTT 1803/4885LMNA 1834/4885
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 TP53 4396/4885HTT 4781/4885LMNA 1879/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 TP53 4396/4885HTT 4781/4885LMNA 1879/4885

“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.