SCHEMBL7249137

SCHEMBL7249137

CCOC(=O)c1sc(SC)c2c1CC(C)(C)/C(=C\O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
ADORA3 P0DMS8 1/20 0.45
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.43
ADORA2A P29274 1/20 0.38
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL7249139 1.00 NPSR1 (0.55) NPSR1MEN1KMT2AKDM4ELMNA
SCHEMBL7437764 0.82 CCNC (0.43) NPSR1MEN1KMT2AKDM4ELMNA
SCHEMBL7437761 0.82 CCNC (0.43) NPSR1MEN1KMT2AKDM4ELMNA
SCHEMBL7442946 0.79 NPSR1 (0.39) NPSR1MEN1KMT2AKDM4ELMNA
SCHEMBL7442942 0.79 NPSR1 (0.39) NPSR1MEN1KMT2AKDM4ELMNA
SCHEMBL7441294 0.78 NPSR1 (0.39) NPSR1MEN1KMT2AKDM4ELMNA
SCHEMBL7430603 0.77 NPSR1 (0.38) NPSR1MEN1KMT2AKDM4ELMNA
SCHEMBL7437153 0.76 LMNA (0.38) NPSR1KDM4ELMNAALDH1A1POLB
SCHEMBL7437156 0.76 LMNA (0.38) NPSR1KDM4ELMNAALDH1A1POLB
SCHEMBL18533472 0.76 NPSR1 (0.50) NPSR1MEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR NPSR1 857/4885MEN1 3625/4885KMT2A 3605/4885

“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.