SCHEMBL2797496

SCHEMBL2797496

Cc1cc(Cl)ccc1CC(N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
USP2 O75604 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.47
RGS12 O14924 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
THPO P40225 1/20 0.47
CASP7 P55210 1/20 0.47
GNAI1 P63096 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2899349 1.00 CYP2C9 (0.48) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL12713283 1.00 CYP2C9 (0.48) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL12713285 1.00 CYP2C9 (0.48) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL29351668 0.83 USP2 (0.50) CYP2C9CYP3A4USP2ALOX15HSD17B10
SCHEMBL44904 0.83 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL29350881 0.83 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL44905 0.83 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL668470 0.83 USP2 (0.50) CYP2C9CYP3A4USP2ALOX15HSD17B10
SCHEMBL1613174 0.83 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL668469 0.83 USP2 (0.50) CYP2C9CYP3A4USP2ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US disclosed
US-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
EP-1622618-A4 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES INC (US) 2008-08-27 EP disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
EP-1622618-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS Palatin Technologies, Inc. (US) 2006-02-08 EP disclosed
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2005-08-11 US disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed
WO-2004098602-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2004-11-18 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 (5 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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CYP2C9 3302/4885CYP3A4 3884/4885CYP1A2 3519/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CYP2C9 3302/4885CYP3A4 3884/4885CYP1A2 3519/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CYP2C9 3302/4885CYP3A4 3884/4885CYP1A2 3519/4885
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders MC3R, MC4R, MC1R CYP2C9 2245/4885CYP3A4 2689/4885CYP1A2 2611/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 CYP2C9 4496/4885CYP3A4 4149/4885CYP1A2 3766/4885

“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.