SCHEMBL3896541

SCHEMBL3896541

FC(F)(F)c1cc(NC(=S)N[C@@H]2CCCC[C@H]2NCc2ccc3ccccc3c2)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SSTR3 P32745 6/20 0.48
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
LMNA P02545 2/20 0.46
CCR2 P41597 5/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.39
NPY1R P25929 1/20 0.38
NPY5R Q15761 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
SCHEMBL3899240 0.89 MYC (0.61) MAPTKDM4EMEN1KMT2ASSTR3
SCHEMBL3891983 0.84 SSTR3 (0.52) MAPTMEN1KMT2ASSTR3MYC
SCHEMBL3888147 0.83 LMNA (0.47) MAPTKDM4EMEN1KMT2ASSTR3
SCHEMBL3888547 0.81 LMNA (0.47) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL3887750 0.80 MEN1 (0.43) MAPTKDM4EMEN1KMT2ASSTR3
SCHEMBL7520490 0.80 LMNA (0.58) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL17448378 0.80 LMNA (0.58) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL31484379 0.80 LMNA (0.58) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL3887682 0.75 TSHR (0.54) MAPTMEN1KMT2ASSTR3LMNA
SCHEMBL16274251 0.74 LMNA (0.52) MAPTKDM4EMEN1KMT2AMYC

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 MAPT 3969/4885KDM4E 2536/4885MEN1 4127/4885

“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.