SCHEMBL1481232

SCHEMBL1481232

FC(F)(F)Oc1cccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.38
PTGS1 P23219 1/20 0.38
XDH P47989 1/20 0.38
BACE1 P56817 1/20 0.38
CHEK1 O14757 1/20 0.36
TRPV1 Q8NER1 4/20 0.36
DHODH Q02127 2/20 0.36
ACLY P53396 1/20 0.35
PDE10A Q9Y233 2/20 0.35
GCGR P47871 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MARS1 P56192 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
DRD1 P21728 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL1481234 1.00 PTGES (0.38) PTGESPTGS1XDHBACE1CHEK1
SCHEMBL6526590 0.96 PTGES (0.36) PTGESPTGS1XDHBACE1CHEK1
SCHEMBL6526587 0.96 PTGES (0.36) PTGESPTGS1XDHBACE1CHEK1
SCHEMBL1480753 0.91 TRPV1 (0.40) TRPV1DHODHACLYMARS1
SCHEMBL1480749 0.91 TRPV1 (0.40) TRPV1DHODHACLYMARS1
SCHEMBL1481332 0.87 ALDH1A3 (0.43) XDHBACE1GCGRADORA2AADORA1
SCHEMBL1481330 0.87 ALDH1A3 (0.43) XDHBACE1GCGRADORA2AADORA1
SCHEMBL1676532 0.85 DPP4 (0.43) PTGESPTGS1XDHTRPV1
SCHEMBL1676530 0.85 DPP4 (0.43) PTGESPTGS1XDHTRPV1
SCHEMBL1480766 0.84 PTGES (0.44) PTGESBACE1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ PTGES 1684/4885PTGS1 777/4885XDH 127/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PTGES 1684/4885PTGS1 777/4885XDH 127/4885

“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.