SCHEMBL310542

SCHEMBL310542

CCCCCSc1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 10/20 0.41
PTGS2 P35354 4/20 0.40
PLK1 P53350 1/20 0.35
S100A4 P26447 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL11483337 0.98 SOAT1 (0.42) SOAT1PTGS2PLK1CYSLTR2CYSLTR1
SCHEMBL11111116 0.98 SOAT1 (0.42) SOAT1PTGS2PLK1CYSLTR2CYSLTR1
SCHEMBL8943722 0.98 SOAT1 (0.42) SOAT1PTGS2PLK1CYSLTR2CYSLTR1
SCHEMBL15844402 0.98 SOAT1 (0.42) SOAT1PTGS2PLK1CYSLTR2CYSLTR1
SCHEMBL8930349 0.98 SOAT1 (0.42) SOAT1PTGS2PLK1CYSLTR2CYSLTR1
SCHEMBL2452782 0.98 SOAT1 (0.42) SOAT1PTGS2PLK1CYSLTR2CYSLTR1
SCHEMBL5495850 0.98 SOAT1 (0.42) SOAT1PTGS2PLK1CYSLTR2CYSLTR1
SCHEMBL310860 0.94 SOAT1 (0.39) SOAT1PTGS2S100A4NPC1RAB9A
SCHEMBL11485815 0.89 EPHX2 (0.46) SOAT1PTGS2
SCHEMBL310210 0.86 SOAT1 (0.36) SOAT1PTGS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
US-20140183414-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8093349-B2 Terminally modified polybranched polyimide, metal-plated terminally modified polybranched polyimide, and method for producing the same UBE INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
US-20100009206-A1 TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, METAL-PLATED TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-01-14 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
EP-0375387-A2 Amide compounds TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-06-27 EP disclosed
US-4906662-A Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-03-06 US disclosed
EP-0263229-A1 Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-04-13 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 (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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 SOAT1 3414/4885PTGS2 105/4885PLK1 4847/4885

“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.