SCHEMBL5963520

SCHEMBL5963520

O=C(O)c1cc(F)[c]c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 3/20 0.48
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
TPMT P51580 3/20 0.44
TP53 P04637 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SELL P14151 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL17023445 0.77 CA5A (0.48) CA5AALDH1A1LMNAMAPTHPGD
SCHEMBL22982 0.73 CA12 (0.65) HCAR1CA12CA1CA2CA7
SCHEMBL26189 0.73 CA12 (0.65) HCAR1CA12CA1CA2CA7
SCHEMBL336433 0.72 HCAR1 (0.73) HCAR1CA12CA1CA2CA7
SCHEMBL157714 0.72 HCAR1 (0.73) HCAR1CA12CA1CA2CA7
SCHEMBL263076 0.72 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL142939 0.72 TSHR (0.40) HCAR1CA12CA1CA2CA7
SCHEMBL14213195 0.70 TTR (0.55) HCAR1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL6518491 0.70 HCAR1 (0.70) HCAR1CA12CA1CA2CA7
SCHEMBL221480 0.70 CES2 (0.67) HCAR1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119073-B2 Peptides and their use as inhibitors of hepatitis C virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-10-10 US claimed
US-7119073-B2 Peptides and their use as inhibitors of hepatitis C virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-10-10 US disclosed
US-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-07-22 US disclosed
EP-1392721-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-03-03 EP disclosed
WO-2002079234-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2002-10-10 WO 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-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease CTRL, VIP, CTSC HCAR1 3884/4885CA12 2690/4885CA1 3126/4885

“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.