SCHEMBL2097707

SCHEMBL2097707

CC(Br)(Br)C(=O)c1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.59
CES1 P23141 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SNCA P37840 1/20 0.40
MAPK14 Q16539 1/20 0.39
ACKR3 P25106 1/20 0.39
DGAT1 O75907 1/20 0.39
RIPK1 Q13546 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9341491 0.89 CES2 (0.59) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL13151879 0.86 CES2 (0.61) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL7804366 0.85 CES2 (0.59) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL1748151 0.80 CES1 (0.63) CES2CES1L3MBTL1HTTSNCA
SCHEMBL9238566 0.78 CES2 (0.50) CES2CES1L3MBTL1KMT2AACKR3
SCHEMBL10832422 0.77 CES2 (0.59) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL7606342 0.77 CES2 (0.53) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL6945689 0.77 CES2 (0.53) CES2CES1L3MBTL1HTTKMT2A
SCHEMBL6645293 0.76 CES2 (0.49) CES2CES1L3MBTL1KMT2ASNCA
SCHEMBL11570 0.75 CES2 (0.68) CES2CES1L3MBTL1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed
US-8163921-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20090274652-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 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-20090274652-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CES2 87/4885CES1 34/4885L3MBTL1 4137/4885

“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.