SCHEMBL2403471

SCHEMBL2403471

CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)cn2)oc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.51
GCK P35557 13/20 0.49
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 1/20 0.47
DEGS1 O15121 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL2466459 0.88 DEGS1 (0.44) GCKRARARARBRARGDEGS1
SCHEMBL2406820 0.81 NPC1 (0.53)
SCHEMBL2405587 0.76 P4HTM (0.50)
SCHEMBL2405272 0.76 KMT2A (0.43)
SCHEMBL2405376 0.76 NPC1 (0.62)
SCHEMBL2404005 0.75 HCAR3 (0.52) HCAR3GCKRARARARBRARG
SCHEMBL2407431 0.72 THRB (0.55)
SCHEMBL2403462 0.71 PTGER4 (0.46) HCAR2
SCHEMBL27451977 0.71 HCAR3 (0.69) HCAR3GCKRARARARBRARG
SCHEMBL2403655 0.71 RNASEH1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 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 (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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB HCAR3 84/4885GCK 2565/4885RARA 4/4885

“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.