SCHEMBL4839353

SCHEMBL4839353

CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(C)cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.67
PLK3 Q9H4B4 1/20 0.60
TRPM2 O94759 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP2C9 P11712 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL19778762 0.91 PLK1 (0.58) PLK1PLK3TRPM2CYP1A2CYP2C19
SCHEMBL19778994 0.87 SMN1; SMN2 (0.53) PLK1PLK3TRPM2CYP1A2CYP2C19
SCHEMBL9147396 0.85 PLK1 (0.50) PLK1PLK3CYP1A2CYP2C19SMN1; SMN2
SCHEMBL10489832 0.84 CYP1A2 (0.71) PLK1PLK3CYP1A2CYP2C19SMN1; SMN2
SCHEMBL8108517 0.84 PLK1 (0.63) PLK1PLK3TRPM2CYP1A2CYP2C19
SCHEMBL5808126 0.83 CYP1A2 (0.52) PLK1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL10489932 0.82 CYP1A2 (0.59) PLK1PLK3CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5720784 0.82 SMN1; SMN2 (0.55) PLK1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL10489833 0.81 METAP2 (0.55) PLK1PLK3TRPM2CYP1A2CYP2C19
SCHEMBL10490025 0.81 CYP1A2 (0.54) PLK1PLK3TRPM2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105884706-B Efficient synthesis method of cetilistat 南京海纳医药科技股份有限公司 2020-07-03 CN claimed
WO-2018011676-A1 NOVEL PROCESSES FOR THE PREPARATION OF 2-OXY-BENZOXAZINONE DERIVATIVES SYMED LABS LIMITED (IN) 2018-01-18 WO claimed
CN-105884706-B Efficient synthesis method of cetilistat 南京海纳医药科技股份有限公司 2020-07-03 CN disclosed
WO-2018011676-A1 NOVEL PROCESSES FOR THE PREPARATION OF 2-OXY-BENZOXAZINONE DERIVATIVES SYMED LABS LIMITED (IN) 2018-01-18 WO disclosed
WO-2018011676-A1 NOVEL PROCESSES FOR THE PREPARATION OF 2-OXY-BENZOXAZINONE DERIVATIVES SYMED LABS LIMITED (IN) 2018-01-18 WO disclosed
CN-105646287-A Method for preparing important intermediate 2- (hexadecyloxycarbonyl) -amino-5-methylbenzoic acid of Cetilistat 南京工业大学 2016-06-08 CN disclosed
US-20080171891-A1 Process for preparing carbamic ester derivatives HOLZER BETTINA 2008-07-17 US disclosed
US-20080171891-A1 Process for preparing carbamic ester derivatives HOLZER BETTINA 2008-07-17 US disclosed
US-7396952-B2 Process for preparing carbamic ester derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-07-08 US disclosed
US-7396952-B2 Process for preparing carbamic ester derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-07-08 US disclosed
US-20070232825-A1 Process for preparing carbamic ester derivatives LANXESS DEUTSCHLAND GMBH (DE) 2007-10-04 US disclosed
US-20070232825-A1 Process for preparing carbamic ester derivatives LANXESS DEUTSCHLAND GMBH (DE) 2007-10-04 US disclosed
EP-1669346-A1 Process for the preparation of carbamic acid derivatives Lanxess Deutschland GmbH (DE) 2006-06-14 EP 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-20080171891-A1 Process for preparing carbamic ester derivatives CPS1, CA7, CA4 PLK1 4473/4885PLK3 4226/4885TRPM2 4862/4885
US-20070232825-A1 Process for preparing carbamic ester derivatives CPS1, CA7, CA4 PLK1 4473/4885PLK3 4226/4885TRPM2 4862/4885

“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.