SCHEMBL8337482

SCHEMBL8337482

Cc1ccc(S)c(-c2ccccc2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
TSHR P16473 2/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PAX8 Q06710 1/20 0.35
AKT2 P31751 3/20 0.35
BRD4 O60885 2/20 0.35
CHEK1 O14757 1/20 0.35
BRD2 P25440 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL21531036 0.84 BRD4 (0.38) MAPTLMNAHTTCYP1A2CYP2A6
SCHEMBL2853743 0.79 ELANE (0.42) MAPTLMNAAKT2ALDH1A1POLB
SCHEMBL2865434 0.79 ALOX5 (0.38) MAPTLMNAHTTHSP90AA1ALDH1A1
SCHEMBL2858584 0.76 L3MBTL1 (0.39) MAPTLMNAHTTTSHRALDH1A1
SCHEMBL28040437 0.76 FABP4 (0.42) MAPTLMNAHTTTSHRAKT2
SCHEMBL982859 0.76 TRPA1 (0.44) MAPTLMNAHTTCYP1A2HSP90AA1
SCHEMBL4473038 0.76 TDP2 (0.46) MAPTLMNAHTTCYP1A2CYP2A6
SCHEMBL4447138 0.74 KMT2A (0.41) MAPTLMNAHTTCYP1A2CYP2A6
SCHEMBL30159162 0.74 FABP3 (0.41) MAPTLMNAHTTCYP1A2CYP2A6
SCHEMBL28416840 0.74 GCGR (0.39) MAPTTSHRALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
WO-2009108704-A1 O-ALKYLATED PI-3 KINASE INHIBITOR PRODRUG COMBINATION SEMAFORE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
WO-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 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 (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-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B MAPT 3144/4885LMNA 3669/4885HTT 3894/4885

“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.