SCHEMBL3949175

SCHEMBL3949175

CC(C)Oc1ccc(-c2cc(F)cc(C(=O)O)c2)cc1C(=O)NC(C)(CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.45
ICAM1 P05362 3/20 0.45
ITGAL P20701 3/20 0.45
TACR1 P25103 9/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
TACR3 P29371 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13904510 0.94 ITGB2 (0.43) ITGB2ICAM1ITGALTACR1MEN1
SCHEMBL3948576 0.86 ITGB2 (0.43) ITGB2ICAM1ITGALTACR1MEN1
SCHEMBL13904514 0.86 KMT2A (0.47) TACR1MEN1KMT2ACDK4CCND1
SCHEMBL13948961 0.83 CDK4 (0.46) TACR1MEN1KMT2ACDK4CCND1
SCHEMBL3945894 0.83 ITGB2 (0.42) ITGB2ICAM1ITGALTACR1MEN1
SCHEMBL13904511 0.82 ITGB2 (0.42) ITGB2ICAM1ITGALTACR1MEN1
SCHEMBL3947792 0.81 MMP9 (0.43) TACR1MEN1KMT2ATACR3CYP2D6
SCHEMBL13904509 0.81 MMP9 (0.43) TACR1MEN1KMT2ATACR3CYP2D6
SCHEMBL13913899 0.80 CDK4 (0.44) ITGB2ICAM1ITGALTACR1MEN1
SCHEMBL3941203 0.80 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A

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 5 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
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 ITGB2 3073/4885ICAM1 3019/4885ITGAL 2858/4885

“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.