SCHEMBL2576292

SCHEMBL2576292

CC1CC1COc1ccc(-n2c(=S)[nH]c3cc[nH]c3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 2/20 0.36
ALDH1A1 P00352 3/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2576050 0.85 PARP15 (0.37) ESR2BRD4KDM4EPKMALDH1A1
SCHEMBL2564542 0.84 PKM (0.40) ESR2BRD4KDM4EPKMALDH1A1
SCHEMBL2577020 0.83 PARP15 (0.39) ESR2BRD4KDM4EPKMALDH1A1
SCHEMBL2561137 0.83 MAPT (0.47) ESR2KDM4EPKMALDH1A1CA12
SCHEMBL2563103 0.82 BRD4 (0.37) ESR2BRD4KDM4EPKMALDH1A1
SCHEMBL2573995 0.81 METAP2 (0.44) ESR2KDM4EPKMALDH1A1CA12
SCHEMBL2565217 0.80 KDM4E (0.39) ESR2KDM4EPKMALDH1A1CA12
SCHEMBL2577795 0.79 ADORA3 (0.37) ESR2BRD4KDM4EPKMALDH1A1
SCHEMBL2575285 0.79 KDM4E (0.38) ESR2BRD4KDM4EPKMALDH1A1
SCHEMBL2575294 0.78 TDP1 (0.39) ESR2KDM4EPKMALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES ESR2 272/4885BRD4 365/4885KDM4E 2686/4885

“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.