SCHEMBL7780248

SCHEMBL7780248

NC(=O)c1cccc(C(=O)O)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.63
CASP7 P55210 1/20 0.63
CASP6 P55212 1/20 0.63
MMP2 P08253 1/20 0.52
ALDH1A1 P00352 6/20 0.50
ALOX15 P16050 1/20 0.50
BCAT2 O15382 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
NAPRT Q6XQN6 2/20 0.45
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
METAP2 P50579 1/20 0.43
IKBKB O14920 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL526919 0.91 G6PD (0.74) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL40536 0.91 ALDH1A1 (0.54) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL28281319 0.88 G6PD (0.71) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL30806223 0.88 G6PD (0.71) G6PDCASP7CASP6MMP2ALDH1A1
Methoxymethane SCHEMBL5903652 0.82 G6PD (0.63) G6PDCASP7CASP6MMP2ALDH1A1
Carbamic Acid SCHEMBL5529842 0.80 G6PD (0.61) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL6999515 0.80 KDM4E (0.45) G6PDCASP7CASP6ALDH1A1BCAT2
SCHEMBL623198 0.80 ALDH1A1 (0.45) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL2489109 0.80 G6PD (0.61) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL5807536 0.79 MAPT (0.60) ALDH1A1BCAT2KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032409-A1 FLUORESCENT BIOMOLECULE LABELING REAGENTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-20080032409-A1 FLUORESCENT BIOMOLECULE LABELING REAGENTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
EP-0781767-B1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL CO (JP) 2001-09-05 EP disclosed
WO-2000069943-A1 POLYUREA COMPOSITION K & L TECHNOLOGIES, INC. (US) 2000-11-23 WO disclosed
US-5981749-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-11-09 US disclosed
US-5973145-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-26 US disclosed
EP-0781767-A1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 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-20080032409-A1 FLUORESCENT BIOMOLECULE LABELING REAGENTS PAICS, IPMK, IK G6PD 3214/4885CASP7 4405/4885CASP6 4178/4885

“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.