SCHEMBL7790171

SCHEMBL7790171

COC(=O)c1sc2c(c1F)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
APEX1 P27695 4/20 0.38
CXCR2 P25025 1/20 0.37
CHRM3 P20309 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
PNMT P11086 1/20 0.33
MYC P01106 1/20 0.33
SIGMAR1 Q99720 3/20 0.32

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
SCHEMBL2761492 0.85 ADORA1 (0.61) ADORA1PTPRCPTPN2PTPN1MAPT
SCHEMBL7796179 0.82 ADORA1 (0.45) ADORA1PTPRCPTPN2PTPN1APEX1
SCHEMBL16020405 0.76 ADORA1 (0.57) ADORA1PTPRCPTPN2PTPN1APEX1
SCHEMBL11555201 0.75 ITGB3 (0.38) ADORA1PTPRCPTPN2PTPN1CHRM3
SCHEMBL9599100 0.73 ADORA1 (0.42) ADORA1CHRM3MAPTTSHRKMT2A
SCHEMBL351848 0.73 ADORA1 (0.73) ADORA1PTPRCPTPN2PTPN1CXCR2
SCHEMBL13151244 0.72 PTPRC (0.52) ADORA1PTPRCPTPN2PTPN1APEX1
Hydrochloric Acid SCHEMBL9425711 0.72 ADORA1 (0.43) ADORA1CHRM3MAPTTSHRKMT2A
Hydrochloric Acid SCHEMBL351847 0.72 ADORA1 (0.74) ADORA1PTPRCPTPN2PTPN1CXCR2
SCHEMBL28381639 0.72 MAPT (0.39) MAPTTSHRKMT2AHSD17B10

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 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 (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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ADORA1 2928/4885PTPRC 1323/4885PTPN2 1580/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ADORA1 2928/4885PTPRC 1323/4885PTPN2 1580/4885

“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.