SCHEMBL3886963

SCHEMBL3886963

Fc1c(F)c(F)c(NC(=S)N[C@@H]2CCCC[C@H]2NCc2ccccc2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 11/20 0.46
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3887808 0.84 MAOB (0.53) SSTR3HTTALDH1A1ALOX12SMN1; SMN2
SCHEMBL3901429 0.80 SSTR3 (0.46) SSTR3HTTALDH1A1RAB9AALOX12
SCHEMBL3888172 0.79 HTT (0.60) HTTALDH1A1RAB9AALOX12NPC1
SCHEMBL3899240 0.78 MYC (0.61) SSTR3HTTALDH1A1ALOX12SMN1; SMN2
SCHEMBL13650298 0.76 MAPT (0.43) SSTR3HTTALDH1A1ALOX12SMN1; SMN2
SCHEMBL3888962 0.76 MAOB (0.60) SSTR3HTTALDH1A1RAB9AALOX12
SCHEMBL2936924 0.76 KDM1A (0.58) SSTR3RAB9AKMT2A
SCHEMBL491107 0.76 KDM1A (0.58) SSTR3RAB9AKMT2A
SCHEMBL2198525 0.76 KDM1A (0.58) SSTR3RAB9AKMT2A
SCHEMBL2197651 0.76 KDM1A (0.58) SSTR3RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US claimed
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US disclosed
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US disclosed
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US disclosed
US-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS (US) 2009-10-08 US disclosed
US-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS (US) 2009-10-08 US disclosed
US-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS (US) 2009-10-08 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-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones TREH, ADH1A, ADH1C SSTR3 1363/4885HTT 2789/4885ALDH1A1 99/4885

“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.