SCHEMBL5635538

SCHEMBL5635538

CC(C)(N)CSc1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
CYP2D6 P10635 3/20 0.65
CYP2C19 P33261 3/20 0.65
MAPK1 P28482 3/20 0.65
CYP3A4 P08684 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HIF1A Q16665 1/20 0.65
CYP2C9 P11712 1/20 0.62
STAT6 P42226 1/20 0.62
MAPT P10636 3/20 0.57
HTR1A P08908 1/20 0.57
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57
POLB P06746 2/20 0.56
RECQL P46063 2/20 0.56
APEX1 P27695 1/20 0.56
ALDH1A1 P00352 8/20 0.56
HSD17B10 Q99714 6/20 0.56
HPGD P15428 4/20 0.56
FBP1 P09467 2/20 0.56

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
SCHEMBL18026712 0.89 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL8030894 0.82 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL31471120 0.82 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL29023731 0.81 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL774785 0.80 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL21675444 0.80 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL5046084 0.79 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL5837665 0.79 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL9811224 0.78 MAPT (0.58) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4
SCHEMBL21827129 0.77 CYP1A2 (0.69) CYP1A2CYP2D6CYP2C19MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139919-A Elastomeric products 大陆轮胎德国有限公司 2024-06-04 CN disclosed
CN-117940506-A Sulfur-crosslinkable rubber coating mixture and pneumatic vehicle tire 大陆轮胎德国有限公司 2024-04-26 CN disclosed
CN-117916103-A Rubberized metal reinforcing member and pneumatic vehicle tire 大陆轮胎德国有限公司 2024-04-19 CN disclosed
EP-1511724-B1 Process for the preparation of thioalkylamine derivatives BAYER CROPSCIENCE AG (DE) 2014-04-30 EP disclosed
US-7235668-B2 Process for the preparation of thioalkylamine derivatives BAYER CROPSCIENCE AG (DE) 2007-06-26 US disclosed
US-7235668-B2 Process for the preparation of thioalkylamine derivatives BAYER CROPSCIENCE AG (DE) 2007-06-26 US disclosed
US-7235668-B2 Process for the preparation of thioalkylamine derivatives BAYER CROPSCIENCE AG (DE) 2007-06-26 US disclosed
US-20050182275-A1 Process for the preparation of thioalkylamine derivatives BAYER CORPSCIENCE AG (DE) 2005-08-18 US disclosed
EP-1511724-A1 PROCESS FOR THE PREPARATION OF THIOALKYLAMINE DERIVATIVES Bayer CropScience AG (DE) 2005-03-09 EP disclosed
WO-2003099777-A1 PROCESS FOR THE PREPARATION OF THIOALKYLAMINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-12-04 WO 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-20050182275-A1 Process for the preparation of thioalkylamine derivatives TST, OPRM1, TMT1A CYP1A2 1210/4885CYP2D6 376/4885CYP2C19 2398/4885

“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.