SCHEMBL6631999

SCHEMBL6631999

O=C(CBr)c1ccc(CS)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.59
▸ PTPN1 P18031 6/20 0.59
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ IDO1 P14902 3/20 0.39
▸ FOLH1 Q04609 1/20 0.39

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
SCHEMBL205280 0.83 GSK3B (0.80) GSK3BPTPN1
SCHEMBL9237039 0.82 GSK3B (0.64) GSK3BPTPN1CES2CES1
SCHEMBL6816324 0.82 GSK3B (0.64) GSK3BPTPN1CES2CES1
SCHEMBL1365349 0.80 GSK3B (0.61) GSK3BPTPN1CES2CES1
SCHEMBL7328068 0.79 GSK3B (0.55) GSK3BPTPN1CES2CES1
SCHEMBL306422 0.78 MAPT (0.53) IDO1
SCHEMBL2776629 0.78 GSK3B (0.63) GSK3BPTPN1
SCHEMBL16057598 0.78 PTPN1 (0.63) GSK3BPTPN1CES2CES1
SCHEMBL14227546 0.78 GSK3B (0.59) GSK3BPTPN1CES2CES1
SCHEMBL392969 0.77 GSK3B (0.59) GSK3BPTPN1

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-20170144968-A1 PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES ZYDUS LIFESCIENCES LIMITED (IN) 2017-05-25 — — US disclosed
US-20160194280-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2016-07-07 — — US disclosed
US-20160107989-A1 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2016-04-21 — — US disclosed
EP-1394162-A1 Intermediates of azole antifungal agents and processes for the preparation thereof Eisai Co., Ltd. (JP) 2004-03-03 — — EP disclosed
EP-1394142-A1 Carboxylic acid intermediates of antifungal agents and processes for the preparation thereof Eisai Co., Ltd. (JP) 2004-03-03 — — EP disclosed
EP-1231210-A2 Azole antifungal agents, processes for the preparation thereof, and intermediates Eisai Co., Ltd. (JP) 2002-08-14 — — EP disclosed
US-5792781-A EFFECTIVE AGAINST DERMATOMYCOSIS/VISCEROMYCOSIS CAUSED BY FUNGI, I.E., CANDIDA ALBICANS EISAI CO., LTD. (JP) 1998-08-11 — — US disclosed
US-5789429-A FUNGICIDE EISAI CO., LTD. (JP) 1998-08-04 — — US disclosed
US-5648372-A TRIAZOLES EISAI CO., LTD. (JP) 1997-07-15 — — US disclosed
EP-0667346-A2 Azole antifungal agents, process for the preparation there of and intermediates Eisai Co., Ltd. (JP) 1995-08-16 — — EP 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-20160194280-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES HPD, HMGCR, CYP51A1 GSK3B 3068/4885PTPN1 501/4885CES2 919/4885
US-20160107989-A1 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CYP51A1, DHCR7, LIPA GSK3B 2947/4885PTPN1 1289/4885CES2 1958/4885
US-20170144968-A1 PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CYP51A1, LIPA, DHCR7 GSK3B 2585/4885PTPN1 1466/4885CES2 2040/4885

“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.

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