SCHEMBL5032667

SCHEMBL5032667

CC(=O)OC(=O)c1cc(N)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP3A4 P08684 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.41
THRB P10828 3/20 0.41
RECQL P46063 3/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
HTR2C P28335 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
P2RX7 Q99572 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL57389 0.82 GAA (0.61) GAATSHRALDH1A1HPGDALOX15
SCHEMBL9575221 0.81 CYP3A4 (0.56) GAACYP3A4TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL5389504 0.81 GAA (0.59) GAATSHRALDH1A1HPGDALOX15
SCHEMBL1099858 0.80 CYP3A4 (0.48) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL10434165 0.79 ALDH1A1 (0.49) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL24269548 0.78 NR1H4 (0.43) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL9318003 0.78 CFD (0.47) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL1274929 0.78 ALDH1A1 (0.51) GAACYP3A4TSHRALDH1A1HPGD
SCHEMBL194508 0.78 CYP4F2 (0.63) GAACYP3A4TSHRALDH1A1HPGD
SCHEMBL29590117 0.78 NR1H4 (0.43) GAACYP3A4TSHRALDH1A1THRB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
CN-101041669-A Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES INC (US) 2007-09-26 CN disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-1575486-A4 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2007-02-28 EP disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20060128692-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC (US) 2006-06-15 US disclosed
US-20060115815-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
EP-1620445-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1501841-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2005-02-02 EP disclosed
WO-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US disclosed
EP-1220848-B1 N-ARYMETHYLTHIOANILIDE COMPOUNDS USEFUL FOR THE INHIBITION OF THE REPLICATION OF HIV UNIROYAL CHEM CO INC (US) 2003-11-19 EP disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-2003091264-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-1220848-A2 N-ARYMETHYLTHIOANILIDE COMPOUNDS USEFUL FOR THE INHIBITION OF THE REPLICATION OF HIV Uniroyal Chemical Company, Inc. (US) 2002-07-10 EP disclosed
WO-2001019811-A2 N-ARYMETHYLTHIOANILIDE COMPOUNDS USEFUL FOR THE INHIBITION OF THE REPLICATION OF HIV UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-03-22 WO disclosed
US-6143780-A COMPOUNDS FOR TREATMENT OF AIDS CONTAINING FURAN OR THIOPHENE GROUPS UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-11-07 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 (3 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-20060128692-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA GAA 122/4885CYP3A4 2125/4885TSHR 3903/4885
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS GAA 24/4885CYP3A4 247/4885TSHR 4748/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS GAA 24/4885CYP3A4 247/4885TSHR 4748/4885

“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.