SCHEMBL3042876

SCHEMBL3042876

CC(C)(C)C(Nc1cccc(F)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MTOR P42345 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL13224065 1.00 MMP2 (0.50) MMP2CA12CA9CA14RAB9A
SCHEMBL12401982 0.83 MEN1 (0.49) MMP2HPGDMEN1KMT2AALDH1A1
SCHEMBL1634808 0.82 SMN1; SMN2 (0.56) MMP2CA12RAB9AMEN1KMT2A
SCHEMBL1634810 0.82 SMN1; SMN2 (0.56) MMP2CA12RAB9AMEN1KMT2A
SCHEMBL3047727 0.81 HCRTR2 (0.45) MMP2CA12CA9RAB9AHPGD
SCHEMBL7936084 0.81 HCRTR2 (0.45) MMP2CA12CA9RAB9AHPGD
SCHEMBL2220603 0.80 MEN1 (0.45) MMP2CA12RAB9ANPC1MEN1
SCHEMBL2220609 0.80 MEN1 (0.45) MMP2CA12RAB9ANPC1MEN1
SCHEMBL11200102 0.79 MMP2 (0.51) MMP2CA12CA9CA14RAB9A
SCHEMBL636085 0.79 RAB9A (0.44) RAB9ANPC1HPGDMEN1KMT2A

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
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
EP-2086963-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
WO-2008060927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL MMP2 728/4885CA12 3487/4885CA9 3034/4885

“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.