SCHEMBL2277756

SCHEMBL2277756

O=C(Nc1cc(-c2ccc(O)cc2)ccc1C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.57
NPC1 O15118 10/20 0.56
RAB9A P51151 9/20 0.56
PKM P14618 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
P2RX5 Q93086 1/20 0.52
P2RX4 Q99571 1/20 0.52
P2RX7 Q99572 1/20 0.52
P2RX2 Q9UBL9 1/20 0.52
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51

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
SCHEMBL2272541 0.93 PTGS2 (0.63) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL2273182 0.92 PTGS2 (0.66) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL5145182 0.85 NPC1 (0.61) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL2274216 0.84 RAB9A (0.60) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL2274795 0.84 NPC1 (0.60) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL2272852 0.84 CASP3 (0.57) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL2272940 0.82 NPC1 (0.62) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL2276661 0.81 RAB9A (0.58) PTGS2NPC1RAB9APKMSMN1; SMN2
SCHEMBL2272605 0.80 DHODH (0.73) NPC1RAB9APKMALDH1A1MAPT
SCHEMBL2275459 0.79 NPC1 (0.58) PTGS2NPC1RAB9APKMSMN1; SMN2

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-7999132-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-08-16 US disclosed
US-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-09-24 US disclosed
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 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-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP26, MMP11 PTGS2 486/4885NPC1 4836/4885RAB9A 2238/4885

“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.