SCHEMBL4074969

SCHEMBL4074969

CCC(O)CNC(=O)CCNC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ASAH1 Q13510 1/20 0.36
FAAH O00519 4/20 0.35
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CASP2 P42575 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
P2RY10 O00398 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
NAAA Q02083 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30

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
SCHEMBL1436205 0.82
SCHEMBL4650825 0.79 CYP2D6 (0.37) CYP2D6CYP2C19ALDH1A1HPGD
SCHEMBL4082501 0.78 CYP2D6 (0.42) CYP2D6CYP2C19ALDH1A1ASAH1POLB
SCHEMBL11284773 0.76 ALDH1A1 (0.43) ALDH1A1ASAH1FAAHPOLBLMNA
SCHEMBL3692879 0.76 MEN1 (0.46) CYP2D6CYP2C19ALDH1A1ASAH1POLB
SCHEMBL10689512 0.74 FAAH (0.60) ASAH1FAAHCASP2
SCHEMBL9319903 0.74 FAAH (0.60) ASAH1FAAHCASP2
SCHEMBL12571810 0.74 TSHR (0.43) ALDH1A1POLBLMNAHTTTSHR
SCHEMBL25969809 0.74 ALDH1A1 (0.37) ALDH1A1ASAH1FAAHPOLBLMNA
SCHEMBL23728846 0.74 CASP2 (0.47) ALDH1A1FAAHCASP2HPGDNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 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 (2 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA CYP2D6 30/4885CYP2C19 85/4885ALDH1A1 60/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 CYP2D6 50/4885CYP2C19 204/4885ALDH1A1 165/4885

“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.