SCHEMBL1967862

SCHEMBL1967862

C#Cc1ncc(C(=O)OC)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ NCOA1 Q15788 2/20 0.39
▸ NCOA3 Q9Y6Q9 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ GLRA3 O75311 1/20 0.38
▸ GLRB P48167 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ CRBN Q96SW2 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL3332117 0.83 CDC7 (0.54) LMNAALDH1A1HPGDMAPK1KDM4E
SCHEMBL27038692 0.83 HCAR2 (0.52) FFAR2HCAR2ALDH1A1KDM4EGAA
SCHEMBL27038896 0.81 RAB9A (0.45) HCAR2LMNAALDH1A1TSHRNPC1
SCHEMBL33099 0.78 KDM4E (0.43) FFAR2HCAR2NPSR1NCOA1NCOA3
Hydrochloric Acid SCHEMBL6706482 0.76 KDM4E (0.42) FFAR2HCAR2NPSR1NCOA1NCOA3
SCHEMBL472995 0.76 CSNK2A2 (0.42) FFAR2HCAR2NPSR1NCOA1NCOA3
SCHEMBL1107386 0.76 HCAR2 (0.68) FFAR2HCAR2NPSR1NCOA1NCOA3
SCHEMBL4292895 0.76 HCAR2 (0.42) FFAR2HCAR2NPSR1NCOA1NCOA3
SCHEMBL23146191 0.74 HCAR2 (0.41) FFAR2HCAR2NPSR1NCOA1NCOA3
SCHEMBL21836283 0.74 ALDH1A1 (0.42) FFAR2HCAR2NPSR1NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665709-B1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RES CO LTD (IN) 2016-12-07 — — EP disclosed
CN-103502217-B Comprise the diaryl acetylene hydrazides of tyrosine kinase inhibitor SUN PHARMA ADVANCED RESEARCH CO.,LTD. (IN) 2015-11-25 — — CN disclosed
US-9024021-B2 Diarylacetylene hydrazide containing tyrosine kinase inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-05-05 — — US disclosed
CN-103502217-A Diarylacetylene hydrazide containing tyrosine kinase inhibitors SUN PHARMA ADVANCED RES CO LTD 2014-01-08 — — CN disclosed
EP-2665709-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS Sun Pharma Advanced Research Company Limited (IN) 2013-11-27 — — EP disclosed
US-20130296557-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-11-07 — — US disclosed
WO-2012098416-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2012-07-26 — — WO disclosed
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 — — US disclosed
EP-2334666-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-06-22 — — EP disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 — — 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 (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-20130296557-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS ABL1, LCK, JAK2 FFAR2 3043/4885HCAR2 1111/4885NPSR1 1848/4885
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 FFAR2 221/4885HCAR2 619/4885NPSR1 3508/4885

“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.

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