SCHEMBL1175495

SCHEMBL1175495

Cc1c(C(=O)O)sc2c1CCNC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
ADORA1 P30542 2/20 0.46
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
PNMT P11086 3/20 0.36
CXCR2 P25025 1/20 0.35
APEX1 P27695 2/20 0.34
GPR35 Q9HC97 2/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2761754 0.80 ADORA1 (0.64) PTPRCPTPN2PTPN1ADORA1ALDH1A1
SCHEMBL7793956 0.80 ADORA1 (0.46) PTPRCPTPN2PTPN1ADORA1PNMT
SCHEMBL30772840 0.78 PTPRC (0.60) PTPRCPTPN2PTPN1ADORA1PARP1
SCHEMBL13030302 0.76 ADORA1 (0.43) PTPRCPTPN2PTPN1ADORA1PARP1
SCHEMBL13401959 0.75 ALDH1A1 (0.46) PTPRCPTPN2PTPN1ALDH1A1POLB
SCHEMBL29676767 0.72 PNMT (0.45) PTPRCPTPN2PTPN1ADORA1PARP1
SCHEMBL13832365 0.72 ADORA1 (0.40) PTPRCPTPN2PTPN1ADORA1PARP1
SCHEMBL31329755 0.71 CXCR2 (0.53) PTPRCPTPN2PTPN1ADORA1PNMT
SCHEMBL1181833 0.71 ITGB3 (0.34) ADORA1ITGB3ITGA2BPNMT
SCHEMBL23841209 0.71 PTPRC (0.56) PTPRCPTPN2PTPN1ADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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 (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-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 PTPRC 1323/4885PTPN2 1580/4885PTPN1 1794/4885

“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.