SCHEMBL2522006

SCHEMBL2522006

COC(=O)c1cccc(C(C)C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC7A5 Q01650 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CASR P41180 1/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL935891 0.86 LOXL2 (0.47) LOXL2TSHRPTGS1PTGS2CYP4F2
SCHEMBL1367640 0.84 CYP4F2 (0.48) TSHRCYP4F2CYP4A11RAB9APOLB
SCHEMBL687298 0.82 ANPEP (0.50) PTGS1PTGS2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2446964 0.82 ANPEP (0.50) PTGS1PTGS2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL30789009 0.82 ANPEP (0.50) PTGS1PTGS2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL688834 0.82 ALDH1A1 (0.42) TSHRPTGS1PTGS2RAB9APOLB
SCHEMBL84441 0.82 TSHR (0.53) LOXL2TSHRPTGS1PTGS2CYP4F2
SCHEMBL11928120 0.81 HDAC8 (0.51) PTGS1PTGS2SMN1; SMN2SLC7A5ALDH1A1
SCHEMBL1891064 0.81 ALDH1A1 (0.41) TSHRPTGS1PTGS2POLBTP53
SCHEMBL26396596 0.81 PARP1 (0.49) TSHRPTGS1PTGS2POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037127-A Preparation method for ketoprofen LISHUI NANMING CHEMICAL CO LTD 2015-11-11 CN claimed
CN-105037127-A Preparation method for ketoprofen LISHUI NANMING CHEMICAL CO LTD 2015-11-11 CN disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
CN-101541801-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-09-23 CN disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
EP-0525506-B2 A process for the alpha-monoalkylation of arylacetonitriles, arylacetoesters and arylacetic acids TESSENDERLO CHEM NV (BE) 1999-03-17 EP disclosed
US-5278333-A Heat treatment TESSENDERLO CHEMIE N.V. (BE) 1994-01-11 US disclosed
EP-0525506-A2 A process for the alpha-monoalkylation of arylacetonitriles, arylacetoesters and arylacetic acids TESSENDERLO CHEMIE N.V. (BE) 1993-02-03 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 (2 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-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 LOXL2 3437/4885TSHR 3007/4885PTGS1 634/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 LOXL2 3437/4885TSHR 3007/4885PTGS1 634/4885

“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.