SCHEMBL7342803

SCHEMBL7342803

CNC(=O)Cc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.51
NLRP3 Q96P20 9/20 0.50
SGK1 O00141 1/20 0.49
DYRK2 Q92630 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SPR P35270 1/20 0.49
HDAC6 Q9UBN7 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
ENPP2 Q13822 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
SCHEMBL13501581 0.81 KMT2A (0.50) HDAC6MAPK1
SCHEMBL2951157 0.81 AOC2 (0.59) CTBP2NLRP3DYRK2SIGMAR1HDAC6
SCHEMBL13329815 0.81 L3MBTL1 (0.56) CTBP2PKMANO1
SCHEMBL15065815 0.81 NLRP3 (0.50) CTBP2NLRP3SGK1DYRK2SIGMAR1
SCHEMBL905177 0.81 ANO1 (0.60) CTBP2NLRP3SGK1DYRK2SIGMAR1
SCHEMBL15874165 0.80 HSP90AB1 (0.59) NLRP3CYP3A4
SCHEMBL23547266 0.80 GLS (0.52) CYP1A2CYP3A4NFKB1ENPP2
SCHEMBL1634793 0.80 GLS (0.52) HDAC6
SCHEMBL13329762 0.80 SRC (0.52) SIGMAR1MAPK1ANO1
SCHEMBL5690915 0.80 EGFR (0.57) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834758-B2 Ketoreductase polypeptides for the preparation of phenylephrine CODEXIS, INC. (US) 2017-12-05 US disclosed
US-20150299671-A1 KETOREDUCTASE POLYPEPTIDES FOR THE PREPARATION OF PHENYLEPHRINE INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-10-22 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
EP-1866280-B1 ACYL HYDRAZIDES AS KINASE INHIBITORS, IN PARTICULAR FOR SGK MERCK PATENT GMBH (DE) 2008-08-13 EP disclosed
US-20010049374-A1 Urokinase inhibitors STEELE ANDREW W (US) 2001-12-06 US disclosed
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed
US-6258822-B1 ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-07-10 US disclosed
EP-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 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 (4 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-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF CTBP2 789/4885NLRP3 308/4885SGK1 3167/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA CTBP2 241/4885NLRP3 151/4885SGK1 2901/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF CTBP2 789/4885NLRP3 308/4885SGK1 3167/4885
US-20010049374-A1 Urokinase inhibitors SERPINE1, PLAU, SERPINB1 CTBP2 4721/4885NLRP3 4437/4885SGK1 2424/4885

“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.