SCHEMBL7041000

SCHEMBL7041000

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 5/20 0.44
MTTP P55157 12/20 0.43
GAA P10253 1/20 0.42
APOB P04114 1/20 0.40
KLRK1 P26718 1/20 0.39
MICA Q29983 1/20 0.39
RAET1L Q5VY80 1/20 0.39

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
SCHEMBL7035088 0.97 MTTP (0.43) ADAMTS7MTTPGAAAPOB
SCHEMBL7039809 0.97 ADAMTS7 (0.43) ADAMTS7MTTPGAAAPOB
SCHEMBL7035858 0.94 KLRK1 (0.43) ADAMTS7MTTPGAAKLRK1MICA
SCHEMBL7109972 0.85 MTTP (0.50) ADAMTS7MTTPGAAAPOB
SCHEMBL7039285 0.84 MTTP (0.51) MTTPGAAAPOB
SCHEMBL6673562 0.84 MTTP (0.47) ADAMTS7MTTPGAAAPOBKLRK1
SCHEMBL7042822 0.82 MTTP (0.47) MTTPGAAAPOB
SCHEMBL7043050 0.82 MTTP (0.47) ADAMTS7MTTPGAAAPOB
SCHEMBL7040487 0.82 MTTP (0.47) MTTPGAAAPOBKLRK1MICA
SCHEMBL7043104 0.82 MTTP (0.47) ADAMTS7MTTPGAA

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-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 claimed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US claimed
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
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

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 ADAMTS7 821/4885MTTP 9/4885GAA 276/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 ADAMTS7 3185/4885MTTP 1/4885GAA 1651/4885

“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.