SCHEMBL3031466

SCHEMBL3031466

CC(=O)NCc1ccc2cc(C(=O)O)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ EIF4A3 P38919 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ TBXAS1 P24557 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ SRD5A2 P31213 2/20 0.47
▸ DAO P14920 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MMP13 P45452 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
SCHEMBL1144575 0.80 DAO (0.58) KDM4EMAPTALDH1A1EIF4A3TBXAS1
SCHEMBL8985815 0.79 TBXAS1 (0.57) KDM4EMAPTALDH1A1EIF4A3KMT2A
SCHEMBL28062587 0.78 KDM4E (0.52) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL20494370 0.75 HSD17B10 (0.60) KDM4EMAPTALDH1A1EIF4A3KMT2A
SCHEMBL27525744 0.75 NLRP3 (0.59) KDM4EMAPTALDH1A1KMT2AHSD17B10
SCHEMBL29865102 0.75 EIF4A3 (0.55) KDM4EMAPTEIF4A3KMT2AMEN1
SCHEMBL3033200 0.75 EIF4A3 (0.55) KDM4EMAPTEIF4A3KMT2AMEN1
SCHEMBL7881816 0.74 PLA2G4A (0.58) KDM4EMAPTALDH1A1EIF4A3KMT2A
SCHEMBL27382485 0.74 DAO (0.51) KDM4EMAPTALDH1A1KMT2AHSD17B10
SCHEMBL19592645 0.72 ALOX15 (0.51) KDM4EMAPTALDH1A1EIF4A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
CN-101790313-A Compound (I) SMITHKLINE BEECHAM CORP 2010-07-28 — — CN 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885MAPT 791/4885ALDH1A1 348/4885

“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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