SCHEMBL3944205

SCHEMBL3944205

N#CCCCC#Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
ALOX5 P09917 1/20 0.47
EPHX2 P34913 1/20 0.47
HDAC3 O15379 10/20 0.45
HDAC4 P56524 10/20 0.45
HDAC1 Q13547 10/20 0.45
HDAC7 Q8WUI4 10/20 0.45
HDAC2 Q92769 10/20 0.45
HDAC10 Q969S8 10/20 0.45
HDAC11 Q96DB2 10/20 0.45
HDAC8 Q9BY41 10/20 0.45
HDAC6 Q9UBN7 10/20 0.45
HDAC9 Q9UKV0 10/20 0.45
HDAC5 Q9UQL6 10/20 0.45
ERAP2 Q6P179 1/20 0.44
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
ECE1 P42892 1/20 0.42
CDK4 P11802 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
SCHEMBL3941237 0.93 ALOX5 (0.47) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL3944233 0.92 ALOX5 (0.46) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL13912827 0.91 ALOX5 (0.47) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL3936476 0.91 ALOX5 (0.48) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL3935545 0.90 ERAP2 (0.45) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL3942280 0.89 ALOX5 (0.49) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL3941158 0.89 ALOX5 (0.44) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL3940306 0.88 ALOX5 (0.45) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL4029873 0.88 ALOX5 (0.45) CTSLALOX5EPHX2HDAC3HDAC4
SCHEMBL4737661 0.87 ERAP2 (0.52) CTSLALOX5EPHX2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US claimed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP claimed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 CTSL 1359/4885ALOX5 870/4885EPHX2 3660/4885

“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.