SCHEMBL7174186

SCHEMBL7174186

COc1cc(Cl)c(NC(=O)C(=O)O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.46
GPR35 Q9HC97 4/20 0.43
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL9528503 0.81 USP2 (0.45) TAS1R3TAS1R1TAS1R2POLBMAPT
SCHEMBL30977634 0.80 CYP3A4 (0.48) PTPN1GPR35MAPTNPC1RAB9A
SCHEMBL11837453 0.76 KMT2A (0.55) PTPN1GPR35POLBMAPTNPC1
SCHEMBL12394016 0.73 KDM4E (0.37) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL11732397 0.73 PTPN1 (0.47) PTPN1GPR35POLBMAPTNPC1
SCHEMBL11788981 0.72 GPR35 (0.46) PTPN1GPR35NPC1RAB9A
SCHEMBL10906990 0.71 EGFR (0.39) TAS1R3TAS1R1TAS1R2POLBMAPT
SCHEMBL596707 0.71 KDM4E (0.52) POLBMAPTSMN1; SMN2KMT2A
SCHEMBL7282028 0.69 CYP3A4 (0.55) POLBMAPTJAK2TYK2KMT2A
SCHEMBL18415560 0.69 MAPT (0.51) POLBMAPTSMN1; SMN2KMT2AMEN1

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-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 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-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR PTPN1 1419/4885GPR35 2832/4885TAS1R3 3747/4885

“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.