SCHEMBL464310

SCHEMBL464310

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
REN P00797 1/20 0.47
MME P08473 6/20 0.46
ACE P12821 5/20 0.46
ACE2 Q9BYF1 3/20 0.46
FPR2 P25090 3/20 0.44
ECE1 P42892 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43
CPA1 P15085 2/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL417751 0.88 REN (0.46) RENMMEACEHDAC3HDAC4
SCHEMBL12194533 0.85 REN (0.60) NPSR1RENACE
SCHEMBL13085451 0.85 NPSR1 (0.51) NPSR1RENMMEACEACE2
SCHEMBL13644596 0.84 CTSB (0.48) RENACE
SCHEMBL417565 0.80 POLB (0.46) MMEHDAC3HDAC4HDAC1
SCHEMBL418576 0.79 CTSK (0.40) REN
SCHEMBL12012833 0.78 FAAH (0.36) RENMMEACEACE2HDAC1
SCHEMBL12011312 0.76 REN (0.57) RENACE
SCHEMBL10261940 0.76 REN (0.57) RENACE
SCHEMBL417749 0.76 CYP1A2 (0.42) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
EP-2371839-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-05 EP disclosed
EP-2368901-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-2368877-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-2368878-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
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 (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-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD NPSR1 2599/4885REN 2419/4885MME 300/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD NPSR1 2599/4885REN 2419/4885MME 300/4885

“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.