SCHEMBL4227249

SCHEMBL4227249

Cc1cccc(-c2ccc(C(=O)O)c(Nc3ccc(F)cc3)c2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.45
AKR1C2 P52895 8/20 0.45
MPO P05164 2/20 0.45
MEN1 O00255 1/20 0.45
AKR1B10 O60218 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
DHFR P00374 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CHRM1 P11229 1/20 0.45
CYP2C9 P11712 1/20 0.45
AKR1B1 P15121 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1C1 Q04828 1/20 0.45
HIF1A Q16665 1/20 0.45
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL4212881 0.90 MCL1 (0.52) AKR1C3AKR1C2CYP1A2CYP3A4CLCN2
SCHEMBL4212928 0.88 AKR1C3 (0.47) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL4219566 0.86 CLCN2 (0.48) AKR1C3AKR1C2MPOCLCN2XDH
SCHEMBL4223743 0.84 CLCN2 (0.48) AKR1C3AKR1C2MEN1DHFRLMNA
SCHEMBL4213652 0.83 ACMSD (0.55) AKR1C3AKR1C2MEN1DHFRLMNA
SCHEMBL4222916 0.81 XDH (0.49) AKR1C3AKR1C2MEN1DHFRLMNA
SCHEMBL4213884 0.81 MCL1 (0.56) AKR1C3AKR1C2AKR1C1XDHSLC22A12
SCHEMBL4221446 0.81 XDH (0.49) AKR1C3AKR1C2CLCN2XDHSLC22A12
SCHEMBL4225654 0.81 CLCN2 (0.50) AKR1C3AKR1C2CLCN2XDHSLC22A12
SCHEMBL4215551 0.81 GRIK1 (0.54) AKR1C3AKR1C2MEN1LMNAKMT2A

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-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
EP-1860098-B1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-14 EP disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 US disclosed
EP-1860098-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-28 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-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 AKR1C3 105/4885AKR1C2 287/4885MPO 192/4885

“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.