SCHEMBL7045701

SCHEMBL7045701

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1ccc(-c2csnn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.46
APOB P04114 5/20 0.46
PTPN1 P18031 1/20 0.45
GAA P10253 2/20 0.42
PPARG P37231 1/20 0.42
SMO Q99835 1/20 0.41

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
SCHEMBL7039772 0.89 MTTP (0.53) MTTPAPOBGAAPPARG
SCHEMBL7041370 0.89 MTTP (0.49) MTTPAPOBGAAPPARGSMO
SCHEMBL7043296 0.88 MTTP (0.57) MTTPAPOBGAAPPARG
SCHEMBL7035884 0.87 MTTP (0.51) MTTPAPOBGAAPPARG
SCHEMBL7041096 0.87 MTTP (0.51) MTTPAPOBGAASMO
SCHEMBL7040029 0.87 MTTP (0.46) MTTPAPOBGAAPPARGSMO
SCHEMBL7040053 0.86 TRPV1 (0.50) MTTPAPOBPPARGSMO
SCHEMBL7035871 0.86 MTTP (0.50) MTTPAPOBGAAPPARG
SCHEMBL7043268 0.86 MTTP (0.50) MTTPAPOBGAAPPARG
SCHEMBL7041435 0.86 MTTP (0.50) MTTPAPOBGAAPPARGSMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 MTTP 1/4885APOB 18/4885PTPN1 1172/4885

“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.