SCHEMBL1340677

SCHEMBL1340677

O=C(O)c1ccsc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.53
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
MAPK14 Q16539 2/20 0.46
PTGS2 P35354 7/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CXCL12 P48061 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL1599245 0.83 PTGS1 (0.51) PTGS1BCL2L1BADMAPK14PTGS2
SCHEMBL3316024 0.82 KMT2A (0.50) PTGS2KDM4EMEN1USP2ALDH1A1
SCHEMBL15276735 0.81 MEN1 (0.50) KDM4EMEN1USP2ALDH1A1CA1
SCHEMBL1340970 0.81 MEN1 (0.49) PTGS2KDM4EMEN1USP2ALDH1A1
SCHEMBL1490909 0.80 CYP2C8 (0.45) KDM4EUSP2ALDH1A1HPGDHSD17B10
SCHEMBL22261486 0.77 PTGS1 (0.54) PTGS1MAPK14PTGS2ALDH1A1HPGD
SCHEMBL15775800 0.77 ACMSD (0.46) KDM4EMEN1KMT2AHIF1AACMSD
SCHEMBL7076248 0.77 SMN1; SMN2 (0.54) PTGS2KDM4EALDH1A1CA1CA2
SCHEMBL11629336 0.77 RAB9A (0.49) PTGS1KDM4EMEN1ALDH1A1HPGD
SCHEMBL5950082 0.75 MAPT (0.50) KDM4EMEN1ALDH1A1CA1CA2

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
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

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 PTGS1 1952/4885BCL2L1 1412/4885BAD 562/4885

“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.