SCHEMBL1340183

SCHEMBL1340183

O=C(O)c1sccc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.51
PTGS1 P23219 11/20 0.51
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
MAPK14 Q16539 2/20 0.45
PTGER2 P43116 1/20 0.44
PTGS2 P35354 6/20 0.44
PTPN1 P18031 1/20 0.41

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
SCHEMBL7079306 0.87 PTGS1 (0.53) BCAT2PTGS1MAPK14PTGS2
SCHEMBL27353967 0.84 BCAT2 (0.69) BCAT2PTGS1MAPK14PTGS2
SCHEMBL1670982 0.82 BCAT2 (0.72) BCAT2
SCHEMBL6664795 0.81 BCAT2 (0.51) BCAT2PTPN1
SCHEMBL27749147 0.81 BCAT2 (0.51) BCAT2PTPN1
SCHEMBL1339762 0.81 BCAT2 (0.51) BCAT2PTGS2
SCHEMBL6497992 0.81 CYP2C8 (0.48) BCAT2PTGS2
SCHEMBL24508434 0.80 BCAT2 (0.50) BCAT2
SCHEMBL982263 0.79 SMN1; SMN2 (0.54) BCAT2PTGS2PTPN1
SCHEMBL2562025 0.79 PTGS1 (0.51) BCAT2PTGS1PTPN1

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
CN-117126189-A 3-thio-3- (trimethylsilyl) -1-ketone compound, preparation method and application thereof 南京工业大学 2023-11-28 CN claimed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US disclosed
CN-101790515-A trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD 2010-07-28 CN disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
CN-1059142-A New thiophene derivant FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-04 CN 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 BCAT2 3798/4885PTGS1 1952/4885BCL2L1 1412/4885

“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.