SCHEMBL3892609

SCHEMBL3892609

CC(C)(C)NC(=O)C(NC(=S)N[C@H]1CCCC[C@@H]1NCc1ccccc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.45
MMP3 P08254 6/20 0.45
SSTR3 P32745 4/20 0.41
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
ALOX12 P18054 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3886812 1.00 MMP2 (0.45) MMP2MMP3SSTR3ALDH1A1HTT
SCHEMBL3886810 1.00 MMP2 (0.45) MMP2MMP3SSTR3ALDH1A1HTT
SCHEMBL14314231 1.00 MMP2 (0.45) MMP2MMP3SSTR3ALDH1A1HTT
SCHEMBL3892600 1.00 MMP2 (0.45) MMP2MMP3SSTR3ALDH1A1HTT
SCHEMBL3889559 0.91 MMP1 (0.46) MMP2MMP3
SCHEMBL3889565 0.91 MMP1 (0.46) MMP2MMP3
SCHEMBL3888174 0.91 MMP1 (0.46) MMP2MMP3
SCHEMBL3888181 0.91 MMP1 (0.46) MMP2MMP3
SCHEMBL3891917 0.85 SSTR3 (0.41) MMP2MMP3SSTR3ALDH1A1HTT
SCHEMBL3891978 0.85 SSTR3 (0.41) MMP2MMP3SSTR3ALDH1A1HTT

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-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-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 MMP2 4637/4885MMP3 4820/4885SSTR3 1363/4885

“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.