SCHEMBL14636698

SCHEMBL14636698

O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 5/20 0.52
PSMB8 P28062 1/20 0.50
PSMB5 P28074 1/20 0.50
LMNA P02545 4/20 0.49
HTT P42858 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TXNRD1 Q16881 1/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
NPC1 O15118 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
SCHEMBL19866033 0.79 ALDH1A1 (0.70) ALDH1A1MAPTPSMB8PSMB5LMNA
SCHEMBL14638712 0.77 PSMB8 (0.49) ALDH1A1MAPTPSMB8PSMB5LMNA
SCHEMBL249027 0.76 ALDH1A1 (0.65) ALDH1A1MAPTPSMB8PSMB5LMNA
SCHEMBL22389485 0.73 RAB9A (0.66) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL14637443 0.72 RAB9A (0.57) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30732411 0.72 PSMB8 (0.69) ALDH1A1MAPTPSMB8PSMB5LMNA
SCHEMBL21827067 0.72 ALDH1A1 (0.60) ALDH1A1MAPTPSMB8PSMB5LMNA
SCHEMBL20204134 0.71 ALDH1A1 (0.58) ALDH1A1MAPTPSMB8PSMB5LMNA
SCHEMBL3595617 0.71 ALDH1A1 (0.67) ALDH1A1MAPTPSMB8PSMB5LMNA
SCHEMBL30149949 0.71 ALDH1A1 (0.67) ALDH1A1MAPTPSMB8PSMB5LMNA

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-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 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-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A ALDH1A1 721/4885MAPT 3692/4885PSMB8 3778/4885

“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.