Sugi Predict

Sugi Predict / Compounds / SCHEMBL3947574

SCHEMBL3947574

SCHEMBL3947574

Cc1cccc(C)c1C#Cc1ccc(OC(F)(F)F)c(C(=O)NC(C)(CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ ITGB2 P05107 2/20 0.37
▸ ICAM1 P05362 2/20 0.37
▸ ITGAL P20701 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTBP1 P26599 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GOT1 P17174 1/20 0.35

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
SCHEMBL13904598 1.00 TRPV1 (0.38) TRPV1CDK2ITGB2ICAM1ITGAL
SCHEMBL3953990 0.92 MMP2 (0.38) TRPV1CDK2ITGB2ICAM1ITGAL
SCHEMBL13948554 0.92 MMP2 (0.38) TRPV1CDK2ITGB2ICAM1ITGAL
SCHEMBL13904633 0.92 MMP2 (0.38) TRPV1CDK2ITGB2ICAM1ITGAL
SCHEMBL3945934 0.92 TRPV1 (0.40) TRPV1CDK2KMT2AMEN1CYP2D6
SCHEMBL13904605 0.92 TRPV1 (0.40) TRPV1CDK2KMT2AMEN1CYP2D6
SCHEMBL3947924 0.91 MMP2 (0.43) TRPV1CDK2PTGS1KMT2AMEN1
SCHEMBL13904626 0.91 MMP2 (0.43) TRPV1CDK2PTGS1KMT2AMEN1
SCHEMBL3947922 0.91 ITGB2 (0.38) TRPV1CDK2ITGB2ICAM1ITGAL
SCHEMBL13904578 0.91 ITGB2 (0.38) TRPV1CDK2ITGB2ICAM1ITGAL

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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 — — US claimed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 — — WO claimed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 — — EP claimed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 — — US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 — — WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 — — 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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 TRPV1 2001/4885CDK2 1589/4885ITGB2 3073/4885

“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.