SCHEMBL13318751

SCHEMBL13318751

CCC[C@H](C)C(O)C(F)(F)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
REN P00797 1/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACE P12821 1/20 0.43
MBTPS1 Q14703 1/20 0.43
MAPT P10636 3/20 0.42
S1PR1 P21453 1/20 0.42
CTSK P43235 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL418575 1.00 TACR1 (0.47) TACR1RENPOLBMEN1KMT2A
SCHEMBL416783 0.88 CTSK (0.42) POLBMAPTCTSKALDH1A1
SCHEMBL417751 0.88 REN (0.46) TACR1RENPOLBMEN1KMT2A
SCHEMBL10261940 0.83 REN (0.57) RENPOLBACEMAPTCTSK
SCHEMBL12011312 0.83 REN (0.57) RENPOLBACEMAPTCTSK
SCHEMBL418576 0.77 CTSK (0.40) RENPOLBMAPTCTSKALDH1A1
SCHEMBL13318748 0.76 POLB (0.49) POLBMEN1KMT2AMAPTCTSK
SCHEMBL417748 0.76 POLB (0.49) POLBMEN1KMT2AMAPTCTSK
SCHEMBL13085451 0.76 NPSR1 (0.51) RENACE
SCHEMBL464310 0.75 NPSR1 (0.50) RENACE

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-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 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-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD TACR1 900/4885REN 2419/4885POLB 2945/4885

“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.