SCHEMBL12876806

SCHEMBL12876806

Cc1cccc(-c2nc(Cc3ccc(C(=O)O)cc3)sc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.53
RARB P10826 3/20 0.53
RARG P13631 3/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.50
MAPK14 Q16539 6/20 0.46
CSNK1D P48730 2/20 0.46
CSNK1E P49674 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
OPRK1 P41145 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 2/20 0.43
IKBKB O14920 1/20 0.42
MAPK13 O15264 1/20 0.42
PRKD3 O94806 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
SCHEMBL12876808 0.87 MAPK14 (0.48) RARARARBRARGPTGDR2MAPK14
SCHEMBL1198837 0.85 ALDH1A1 (0.55) RARARARBRARGMAPK14MEN1
SCHEMBL12876907 0.80 RARB (0.54) RARARARBRARGMAPK14MAPT
SCHEMBL12876983 0.80 HDAC6 (0.59) RARARARBRARGPTGDR2MEN1
SCHEMBL12877014 0.79 SYK (0.56) RARBRARGPTGDR2MAPK14MAPT
SCHEMBL12876767 0.79 SIRT5 (0.50) MAPK14CSNK1DCSNK1EMEN1KMT2A
SCHEMBL27978170 0.76 MEN1 (0.52) RARARARBRARGPTGDR2MEN1
SCHEMBL12876898 0.74 TP53 (0.57) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL12876953 0.72 RAB9A (0.77) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL12876889 0.72 PPARG (0.44) RARARARBRARGMAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US 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 (1 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A RARA 2748/4885RARB 2205/4885RARG 2182/4885

“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.