SCHEMBL12166384

SCHEMBL12166384

CC(C)(C)OC(=O)N1C[C@](O)(c2ccc(F)cc2)C[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 3/20 0.36
F10 P00742 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PTGS2 P35354 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL1830040 0.91 RORC (0.41) RORCALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL10215014 0.89 RORC (0.40) RORCALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL17294853 0.89 RORC (0.42) RORCGRIN2B
SCHEMBL20584659 0.89 RORC (0.42) RORCGRIN2B
SCHEMBL20446551 0.89 RORC (0.42) RORCGRIN2B
SCHEMBL12166405 0.89 RORC (0.42) RORCGRIN2B
SCHEMBL17294854 0.89 RORC (0.42) RORCGRIN2B
SCHEMBL21430555 0.88 F10 (0.38) RORCALDH1A1F10MMP13
SCHEMBL12880874 0.87 NR1H2 (0.40) RORCHDAC8
SCHEMBL25360071 0.83 OPRK1 (0.41) RORCALDH1A1

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-1879910-B1 TRIPEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-09 EP disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-7592336-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 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 (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-20090274648-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, PYGL RORC 429/4885ALDH1A1 623/4885CYP1A2 436/4885
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients PREP, PPIL4, PPID RORC 3611/4885ALDH1A1 2011/4885CYP1A2 967/4885

“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.