SCHEMBL3499773

SCHEMBL3499773

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.53
ALOX5 P09917 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.42
MAPT P10636 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL31538745 0.88 ALOX5 (0.57) CCR5ALOX5MEN1KMT2AHTT
SCHEMBL20839505 0.88 MEN1 (0.48) CCR5ALOX5MEN1KMT2AHTT
SCHEMBL5208620 0.86 CCR5 (0.54) CCR5MCL1
SCHEMBL27573369 0.82 ALOX5 (0.49) CCR5ALOX5MEN1KMT2AHTT
SCHEMBL5210235 0.82 CCR5 (0.48) CCR5ALOX5MEN1KMT2AHTT
SCHEMBL13366366 0.81 MCL1 (0.47) CCR5ALOX5MEN1KMT2AHTT
SCHEMBL8543191 0.80 ALOX5 (0.55) CCR5ALOX5MEN1KMT2AHTT
SCHEMBL20839732 0.79 CA12 (0.48) ALOX5MEN1KMT2AHTTMAPT
SCHEMBL432482 0.79 MEN1 (0.66) ALOX5MEN1KMT2AHTTMAPT
SCHEMBL5211944 0.79 TDP1 (0.44) CCR5MCL1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 CCR5 420/4885ALOX5 3405/4885MEN1 3918/4885

“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.