SCHEMBL10189466

SCHEMBL10189466

CC(C)(C)Nc1sc2c(c1C(=O)N1CCCC1)CCN(C(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 10/20 0.41
CNR1 P21554 8/20 0.41
KIF11 P52732 2/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL15139322 0.87 CNR2 (0.42) ALDH1A1TSHRCNR2CNR1KIF11
SCHEMBL10189497 0.84 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL14648860 0.84 KMT2A (0.46) ALDH1A1CNR2CNR1KIF11MAPT
SCHEMBL10190438 0.84 KMT2A (0.49) ALDH1A1TSHRCNR2CNR1MAPT
SCHEMBL10189465 0.83 L3MBTL1 (0.50) ALDH1A1CNR2MAPTLMNAPKM
SCHEMBL10189463 0.79 PTPRC (0.48) ALDH1A1TSHRCNR2CNR1KIF11
SCHEMBL13151110 0.73 PTPN2 (0.53) ALDH1A1TSHRKIF11MAPTLMNA
SCHEMBL10189646 0.72 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10189502 0.71 GAA (0.47) ALDH1A1CNR2MAPTLMNAPKM
SCHEMBL18886798 0.71 ALDH1A1 (0.55) ALDH1A1MAPTLMNATP53NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
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 (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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ALDH1A1 4088/4885TSHR 1865/4885CNR2 2349/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ALDH1A1 4088/4885TSHR 1865/4885CNR2 2349/4885

“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.