SCHEMBL16320860

SCHEMBL16320860

Cc1cc(-c2ccc(NC(=O)O)cc2)cc2oc(=O)n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ ACACB O00763 1/20 0.41
▸ MAPK1 P28482 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ IL2 P60568 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ F12 P00748 1/20 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
SCHEMBL17766367 0.85 IL2 (0.56) TP53IL2HTTKMT2AMEN1
SCHEMBL16435008 0.84 ACACB (0.43) KDM4EACACBMAPK1TP53POLB
SCHEMBL16362388 0.80 MAOB (0.40) KDM4EACACBHSD17B10PKML3MBTL1
SCHEMBL17766385 0.79 KDM4E (0.48) KDM4EMAPK1USP2HSD17B10TP53
SCHEMBL10188602 0.75 ACACB (0.73) ACACB
SCHEMBL1286093 0.73 KDR (0.44) KDM4EACACBHSD17B10PKMALDH1A1
SCHEMBL4064262 0.72 ALDH1A1 (0.44) KDM4EACACBHSD17B10TP53POLB
SCHEMBL17766366 0.72 IL2 (0.55) TP53IL2HTTKMT2AMEN1
SCHEMBL12787337 0.69 ACACB (0.41) KDM4EACACBMAPK1USP2POLB
SCHEMBL4064265 0.69 ACACB (0.40) KDM4EACACBMAPK1HSD17B10TP53

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-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
EP-3010586-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2016-04-27 — — EP disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 — — 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 (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-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E KDM4E 2535/4885ACACB 2083/4885MAPK1 2303/4885

“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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