SCHEMBL3499327

SCHEMBL3499327

O=C(O)c1ccc2c(c1)N(c1ccccc1)C(=O)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ GAA P10253 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.47
▸ SRD5A2 P31213 2/20 0.45
▸ SRD5A1 P18405 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 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
SCHEMBL28037987 0.87 HPGD (0.61) CA12CA1CA9GAASRD5A2
SCHEMBL3501542 0.85 NPC1 (0.48) CA12CA1CA9GAASRD5A2
SCHEMBL7287582 0.84 CA12 (0.68) CA12CA1CA9GAAHSD17B10
Hydrochloric Acid SCHEMBL7288973 0.82 CA12 (0.66) CA12CA1CA9GAAHSD17B10
SCHEMBL12559590 0.79 L3MBTL1 (0.54) GAAHSD17B10KMT2AALDH1A1HPGD
SCHEMBL3503067 0.78 KMT2A (0.44) CA12CA1CA9HSD17B10KMT2A
SCHEMBL17276109 0.78 NPC1 (0.46) GAAKMT2AALDH1A1HPGDCYP1A2
SCHEMBL5213974 0.77 HPGD (0.70) CA12CA1CA9GAAKMT2A
SCHEMBL30293223 0.77 HPGD (0.70) CA12CA1CA9GAAKMT2A
SCHEMBL21074418 0.77 KCNJ1 (0.47) CA12CA1CA9HSD17B10KMT2A

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 — — US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 — — US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 — — US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 — — 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 CA12 1061/4885CA1 1127/4885CA9 546/4885

“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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