SCHEMBL6673562

SCHEMBL6673562

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.47
APOB P04114 2/20 0.45
KLRK1 P26718 1/20 0.45
MICA Q29983 1/20 0.45
RAET1L Q5VY80 1/20 0.45
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
GAA P10253 1/20 0.43
ADAMTS7 Q9UKP4 1/20 0.43

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
SCHEMBL7039285 0.86 MTTP (0.51) MTTPAPOBCHRNB2CHRNB4CHRNA3
SCHEMBL6673563 0.85 MTTP (0.47) MTTPAPOBKLRK1MICARAET1L
SCHEMBL7109972 0.85 MTTP (0.50) MTTPAPOBCHRNB2CHRNB4CHRNA3
SCHEMBL7041000 0.84 ADAMTS7 (0.44) MTTPAPOBKLRK1MICARAET1L
SCHEMBL7035088 0.84 MTTP (0.43) MTTPAPOBS1PR1S1PR3GAA
SCHEMBL7036344 0.83 FAAH (0.45) MTTPADAMTS7
SCHEMBL7040487 0.82 MTTP (0.47) MTTPAPOBKLRK1MICARAET1L
SCHEMBL7043050 0.82 MTTP (0.47) MTTPAPOBGAAADAMTS7
SCHEMBL7042822 0.82 MTTP (0.47) MTTPAPOBGAA
SCHEMBL7043104 0.82 MTTP (0.47) MTTPGAAADAMTS7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 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 (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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN MTTP 9/4885APOB 1/4885KLRK1 1927/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 MTTP 1/4885APOB 18/4885KLRK1 4354/4885

“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.