SCHEMBL448497

SCHEMBL448497

Cc1cc(Cl)c(C(=O)O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
MYC P01106 1/20 0.42
NR4A1 P22736 1/20 0.42
CTSB P07858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CLCN2 P51788 2/20 0.42
ADRA2A P08913 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL7007499 0.92 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2ALDH1A1TP53
SCHEMBL10625992 0.84 TSHR (0.44) SMN1; SMN2ALDH1A1TSHRPOLBAPEX1
SCHEMBL10628886 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TP53TSHRCASP1
SCHEMBL32668944 0.83 KEAP1 (0.55) KEAP1NFE2L2SMN1; SMN2ALDH1A1TP53
SCHEMBL3436916 0.83 KDM4E (0.45) KEAP1NFE2L2ALDH1A1LMNANOTUM
SCHEMBL979056 0.83 KEAP1 (0.55) KEAP1NFE2L2SMN1; SMN2ALDH1A1TP53
SCHEMBL221449 0.81 KEAP1 (0.53) KEAP1NFE2L2SMN1; SMN2ALDH1A1TP53
SCHEMBL365017 0.81 KDM4E (0.44) KEAP1NFE2L2ALDH1A1NOTUMHPGD
Hydrochloric Acid SCHEMBL9488278 0.81 KEAP1 (0.53) KEAP1NFE2L2SMN1; SMN2ALDH1A1TP53
SCHEMBL19399612 0.81 KEAP1 (0.44) KEAP1NFE2L2ALDH1A1TSHRNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 US disclosed
EP-2683693-B1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9603838-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
US-20150297566-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2015-10-22 US disclosed
US-9095583-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
EP-2170848-B1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2014-10-22 EP disclosed
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 US disclosed
EP-2379174-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-10-26 EP disclosed
CN-101842361-A Pyrazinone derivatives and their use in the treatment of lung diseases ASTRAZENECA AB 2010-09-22 CN disclosed
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
EP-2170848-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES AstraZeneca AB (SE) 2010-04-07 EP disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
US-4762844-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 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 (6 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 KEAP1 190/4885NFE2L2 314/4885SMN1; SMN2 3152/4885
US-20150297566-A1 RORgammaT INHIBITORS RORB, RORC, RORA KEAP1 2775/4885NFE2L2 3092/4885SMN1; SMN2 3233/4885
US-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA KEAP1 2633/4885NFE2L2 2783/4885SMN1; SMN2 3364/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 KEAP1 865/4885NFE2L2 1934/4885SMN1; SMN2 4309/4885
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 KEAP1 3412/4885NFE2L2 3238/4885SMN1; SMN2 3537/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 KEAP1 156/4885NFE2L2 331/4885SMN1; SMN2 3402/4885

“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.