SCHEMBL1680387

SCHEMBL1680387

NC(=O)c1ccc(C=O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
UNG P13051 1/20 0.44
PTPN1 P18031 6/20 0.43
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
ERN1 O75460 1/20 0.40
HNF4A P41235 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4613992 0.88 ALDH1A1 (0.52) ALDH1A1UNGPTPN1PTPN2PTPN6
SCHEMBL30589393 0.88 ALDH1A1 (0.52) ALDH1A1UNGPTPN1PTPN2PTPN6
SCHEMBL8847271 0.81 ALDH1A1 (0.45) ALDH1A1UNGPTPN1PTPN2PTPN6
SCHEMBL8847288 0.81 ALDH1A1 (0.45) ALDH1A1UNGPTPN1PTPN2PTPN6
Benzaldehyde SCHEMBL29253220 0.80 ALDH1A1 (0.44) ALDH1A1UNGPTPN1HSD17B10HPGD
SCHEMBL27487692 0.79 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDPTGS2KDM4E
SCHEMBL5317968 0.79 ALDH1A1 (0.37) ALDH1A1UNGHSD17B10HPGDPTGS2
SCHEMBL4758193 0.78 PTGS2 (0.57) ALDH1A1PTPN1PTPN2PTPN6HSD17B10
SCHEMBL29953251 0.78 PTGS2 (0.57) ALDH1A1PTPN1PTPN2PTPN6HSD17B10
SCHEMBL27556922 0.78 KDM4E (0.59) ALDH1A1UNGPTPN1PTPN2PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US 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-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 ALDH1A1 1459/4885UNG 3630/4885PTPN1 1882/4885

“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.