SCHEMBL2636331

SCHEMBL2636331

O=C(O)NCC(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
CYP1A2 P05177 2/20 0.48
MMP2 P08253 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SRR Q9GZT4 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
BCHE P06276 1/20 0.45
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL20425137 0.85 PPARG (0.59)
SCHEMBL14763949 0.84 ALDH1A1 (0.44) NPC1RAB9APOLB
SCHEMBL8928265 0.82 KDM4E (0.51) CYP1A2CYP2C9CYP2C19PKM
SCHEMBL3510092 0.81 MMP2 (0.50) MMP2CYP2D6TSHR
SCHEMBL3507239 0.81 LAP3 (0.49) TRPA1CYP1A2SRRNPC1RAB9A
SCHEMBL7412484 0.81 CPA1 (0.46) TRPA1CYP1A2MMP2MTNR1AMTNR1B
SCHEMBL6647168 0.80 LMNA (0.56)
SCHEMBL12067897 0.80 LMNA (0.56)
SCHEMBL3898924 0.79 CYP1A2 (0.47) CYP1A2MMP2MTNR1AMTNR1BNPC1
SCHEMBL218878 0.79 MMP2 (0.73) MMP2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210816-B1 Translucent xerographic recording substrates XEROX CORPORATION 2001-04-03 US claimed
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 US disclosed
EP-2114388-B1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2015-05-20 EP disclosed
US-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 US disclosed
US-8946278-B2 Inhibitors of AkT activity GLAXOSMITHKLINE LLC (US) 2015-02-03 US disclosed
US-20130274479-A1 AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 US disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-8420690-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-16 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
EP-2027093-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-02-25 EP disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007146323-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2004077511-A2 (METH)ACRYLIC AND (METH)ACRYLAMIDE MONOMERS, POLYMERIZABLE COMPOSITIONS, AND POLYMERS OBTAINED THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2004-09-10 WO disclosed
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6210816-B1 Translucent xerographic recording substrates XEROX CORPORATION 2001-04-03 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 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 (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-20130274479-A1 AMINOHYDROXYLATION OF ALKENES ALKBH3, ALKBH1, ALKBH2 TRPA1 3933/4885CYP1A2 115/4885MMP2 3776/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 TRPA1 4328/4885CYP1A2 3891/4885MMP2 995/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 TRPA1 4328/4885CYP1A2 3891/4885MMP2 995/4885

“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.