SCHEMBL3891983

SCHEMBL3891983

COc1ccc(CN[C@@H]2CCCC[C@H]2NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 2/20 0.52
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
CCR2 P41597 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL3887682 0.87 TSHR (0.54) SSTR3ALDH1A1MAPTGAATDP1
SCHEMBL3899240 0.86 MYC (0.61) SSTR3MYCMAXCCR2ALDH1A1
SCHEMBL3896541 0.84 MAPT (0.54) SSTR3MYCMAXCCR2MAPT
SCHEMBL3887750 0.82 MEN1 (0.43) SSTR3MYCMAXCCR2ALDH1A1
SCHEMBL3888962 0.81 MAOB (0.60) SSTR3ALDH1A1MAPTGAALMNA
SCHEMBL31484379 0.80 LMNA (0.58) MYCMAXALDH1A1MAPTGAA
SCHEMBL17448378 0.80 LMNA (0.58) MYCMAXALDH1A1MAPTGAA
SCHEMBL7520490 0.80 LMNA (0.58) MYCMAXALDH1A1MAPTGAA
SCHEMBL3297371 0.79 MYC (0.70) MYCMAXALDH1A1MAPTGAA
SCHEMBL3888547 0.77 LMNA (0.47) MYCMAXCCR2ALDH1A1MAPT

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 1363/4885MYC 1859/4885MAX 2391/4885

“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.