SCHEMBL2969245

SCHEMBL2969245

Cc1ccc(C(=O)c2nn(Cc3ccc(C=CCOC(C)(C)C(=O)O)cc3)c3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.43
P2RY14 Q15391 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PTGER4 P35408 2/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
ENPP2 Q13822 1/20 0.38
SLC16A3 O15427 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
PPARA Q07869 6/20 0.36

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
SCHEMBL2969239 1.00 GCGR (0.43) GCGRP2RY14PTGDR2PTGER4HDAC3
SCHEMBL2986308 0.87 SLC16A3 (0.50) PTGER4HDAC3HDAC1HDAC2HDAC10
SCHEMBL2986311 0.87 SLC16A3 (0.50) PTGER4HDAC3HDAC1HDAC2HDAC10
SCHEMBL2974883 0.83 HDAC1 (0.40) P2RY14HDAC1HDAC11HDAC8HDAC6
SCHEMBL2974879 0.83 HDAC1 (0.40) P2RY14HDAC1HDAC11HDAC8HDAC6
SCHEMBL2973728 0.78 GCGR (0.37) GCGRP2RY14PTGDR2PTGER4HDAC3
SCHEMBL2973735 0.78 GCGR (0.37) GCGRP2RY14PTGDR2PTGER4HDAC3
SCHEMBL13205989 0.77 ALDH1A1 (0.39) P2RY14PTGDR2HDAC1HDAC2HDAC6
SCHEMBL2971499 0.77 GCGR (0.38) GCGRP2RY14HDAC3HDAC4HDAC1
SCHEMBL2966850 0.74 SLC16A3 (0.46) PTGER4SLC16A3PPARAPPARGMCTS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 GCGR 172/4885P2RY14 3723/4885PTGDR2 1563/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 GCGR 201/4885P2RY14 3859/4885PTGDR2 1708/4885

“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.