SCHEMBL10189463

SCHEMBL10189463

CC(C)(C)Nc1sc2c(c1C(=O)N1CCCC1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
CXCR2 P25025 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 9/20 0.41
CNR1 P21554 7/20 0.41
KIF11 P52732 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ADORA1 P30542 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL16846967 0.86 PTPRC (0.48) PTPRCPTPN2PTPN1CXCR2ALDH1A1
SCHEMBL10189644 0.81 PTPRC (0.53) PTPRCPTPN2PTPN1CXCR2ALDH1A1
SCHEMBL10189466 0.79 ALDH1A1 (0.41) PTPN2PTPN1ALDH1A1TSHRCNR2
SCHEMBL351385 0.77 ADORA1 (0.55) PTPRCPTPN2PTPN1ALDH1A1TSHR
SCHEMBL10190438 0.77 KMT2A (0.49) ALDH1A1TSHRCNR2CNR1MAPT
SCHEMBL14648860 0.77 KMT2A (0.46) ALDH1A1CNR2CNR1KIF11MAPT
SCHEMBL8288837 0.68 PTPRC (0.52) PTPRCPTPN2PTPN1CXCR2ALDH1A1
SCHEMBL13151117 0.66 PTPRC (0.53) PTPRCPTPN2PTPN1CXCR2ALDH1A1
SCHEMBL15139322 0.66 CNR2 (0.42) ALDH1A1TSHRCNR2CNR1KIF11
SCHEMBL12057591 0.66 ALDH1A1 (0.58) ALDH1A1TSHRCNR2CNR1KIF11

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-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PTPRC 1727/4885PTPN2 2318/4885PTPN1 2080/4885

“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.