SCHEMBL12880892

SCHEMBL12880892

CC(C)(C)OC(=O)N1C[C@](O)(c2ccc3ccccc3c2)C[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
RORC P51449 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GRM2 Q14416 1/20 0.38
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 3/20 0.35
GPR119 Q8TDV5 1/20 0.34
RXRA P19793 2/20 0.34

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
SCHEMBL17294853 0.87 RORC (0.42) RORCNR1H2NR1H3GPR119
SCHEMBL20584659 0.87 RORC (0.42) RORCNR1H2NR1H3GPR119
SCHEMBL20446551 0.87 RORC (0.42) RORCNR1H2NR1H3GPR119
SCHEMBL17294854 0.87 RORC (0.42) RORCNR1H2NR1H3GPR119
SCHEMBL12166405 0.87 RORC (0.42) RORCNR1H2NR1H3GPR119
SCHEMBL12880874 0.85 NR1H2 (0.40) RORCNR1H2NR1H3GPR119RXRA
SCHEMBL21430555 0.84 F10 (0.38) RORCNR1H2NR1H3
SCHEMBL25360071 0.83 OPRK1 (0.41) RORC
SCHEMBL12166384 0.82 RORC (0.41) KMT2ARORCMEN1
SCHEMBL10992037 0.82 KDM4E (0.44) KMT2AKDM4EGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 4486/4885RORC 429/4885MEN1 4801/4885
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 KMT2A 3698/4885RORC 3611/4885MEN1 4728/4885

“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.