SCHEMBL13470286

SCHEMBL13470286

COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.58
ALDH1A1 P00352 10/20 0.55
ALOX12 P18054 8/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MAPT P10636 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL13470281 0.92 ALDH1A1 (0.56) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL13470021 0.90 ALDH1A1 (0.67) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL13454366 0.90 GPR55 (0.61) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL13453835 0.89 GPR55 (0.60) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL17066567 0.89 GPR55 (0.60) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL13454473 0.89 ALDH1A1 (0.68) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL13454466 0.88 ALDH1A1 (0.68) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL13454478 0.88 CA1 (0.64) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL13454490 0.87 GPR55 (0.78) GPR55ALDH1A1ALOX12THRBKMT2A
SCHEMBL13454470 0.87 ALDH1A1 (0.68) GPR55ALDH1A1ALOX12THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 US disclosed
US-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-18 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 (1 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-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors PCTP, LCAT, CETP GPR55 1523/4885ALDH1A1 4289/4885ALOX12 2842/4885

“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.