SCHEMBL754126

SCHEMBL754126

COC(=O)N[C@H](C(=O)O)C1CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.40
CYP2C9 P11712 1/20 0.40
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP13 P45452 2/20 0.32
EPHX2 P34913 1/20 0.32
P2RX7 Q99572 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18526639 1.00 PYGL (0.40) PYGLCYP2C9MMP1MMP2MMP3
SCHEMBL754136 0.87 POLB (0.32) PYGLCYP2C9EPHX2SMN1; SMN2
SCHEMBL18526789 0.87 POLB (0.32) PYGLCYP2C9EPHX2SMN1; SMN2
SCHEMBL3375718 0.85 AAK1 (0.40) PYGLCYP2C9MMP13
SCHEMBL8356484 0.85 AAK1 (0.40) PYGLCYP2C9MMP13
SCHEMBL193724 0.84 MMP2 (0.37) PYGLMMP1MMP2MMP3MMP7
SCHEMBL206034 0.84 MMP2 (0.37) PYGLMMP1MMP2MMP3MMP7
SCHEMBL1804269 0.81 MMP2 (0.42) PYGLCYP2C9MMP1MMP2MMP3
SCHEMBL27923509 0.81 MMP2 (0.39) PYGLCYP2C9MMP1MMP2MMP3
SCHEMBL240589 0.81 MMP2 (0.42) PYGLCYP2C9MMP1MMP2MMP3

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
US-20100303755-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-12-02 US disclosed
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed
WO-2010117704-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
WO-2010117977-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (5 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL PYGL 3/4885CYP2C9 2691/4885MMP1 4033/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885MMP1 3898/4885
US-20100249190-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PYGL 27/4885CYP2C9 3941/4885MMP1 4553/4885
US-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885MMP1 3898/4885
US-20100303755-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PYGL 2/4885CYP2C9 2585/4885MMP1 3898/4885

“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.