SCHEMBL7069710

SCHEMBL7069710

CCOC(=O)Cc1nc2cc(C(=O)O)ccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
PTGER4 P35408 1/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HCAR3 P49019 4/20 0.46
HSD17B10 Q99714 2/20 0.45
HDAC1 Q13547 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 2/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PABPC1 P11940 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL7018296 0.80 RAB9A (0.58) HPGDHDAC6HSD17B10NPC1RAB9A
SCHEMBL8906502 0.80 HCAR3 (0.53) HPGDPTGER4HDAC6HCAR3HSD17B10
SCHEMBL16166414 0.80 HDAC6 (0.52) HPGDPTGER4HDAC6HCAR3HSD17B10
SCHEMBL3438310 0.79 HDAC6 (0.57) PTGER4HDAC6HCAR3HSD17B10HDAC1
SCHEMBL17315023 0.79 HDAC6 (0.51) HPGDPTGER4HDAC6HCAR3HSD17B10
SCHEMBL14696949 0.78 NPC1 (0.75) HDAC6NPC1RAB9AKDM4EALDH1A1
SCHEMBL9597035 0.78 HDAC6 (0.50) PTGER4HDAC6HCAR3HSD17B10HDAC1
Hydrochloric Acid SCHEMBL20969064 0.78 HDAC6 (0.50) HPGDPTGER4HDAC6HCAR3HSD17B10
SCHEMBL9597041 0.78 HDAC6 (0.50) PTGER4HDAC6HCAR3HSD17B10HDAC1
SCHEMBL29703917 0.78 HDAC6 (0.50) HDAC6HCAR3HDAC1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 HPGD 1524/4885PTGER4 529/4885HDAC6 379/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 HPGD 591/4885PTGER4 67/4885HDAC6 709/4885

“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.