SCHEMBL785011

SCHEMBL785011

COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.C[C@](C(=O)O)(c1ccccc1)N1CCC(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
MTTP P55157 9/20 0.40
APOB P04114 3/20 0.40
MMP9 P14780 5/20 0.40
MMP2 P08253 4/20 0.40
MMP13 P45452 2/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL786257 1.00 GAA (0.41) GAASMN1; SMN2POLBMTTPAPOB
SCHEMBL14735725 0.89 MTTP (0.43) GAASMN1; SMN2POLBMTTPAPOB
SCHEMBL14735786 0.89 MTTP (0.43) GAASMN1; SMN2POLBMTTPAPOB
Usistapide SCHEMBL785351 0.88 NPY2R (0.47) GAAPOLBMTTPAPOBMMP9
SCHEMBL785583 0.82 MTTP (0.49) GAASMN1; SMN2MTTPAPOBALDH1A1
SCHEMBL785584 0.82 MTTP (0.49) GAASMN1; SMN2MTTPAPOBALDH1A1
SCHEMBL786048 0.82 MTTP (0.49) GAASMN1; SMN2MTTPAPOBALDH1A1
Usistapide SCHEMBL29376869 0.69 NPY2R (0.62) MTTPAPOB
Usistapide SCHEMBL803532 0.69 NPY2R (0.62) MTTPAPOB
Usistapide SCHEMBL785394 0.69 NPY2R (0.62) MTTPAPOB

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-20120071660-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'(TRIFLUOROMETHYL)-2- BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2012-03-22 US claimed

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-20120071660-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'(TRIFLUOROMETHYL)-2- BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE MTTP, CETP, LIPC GAA 1218/4885SMN1; SMN2 3780/4885POLB 2334/4885

“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.