Sugi Predict

Sugi Predict / Compounds / SCHEMBL12166405

SCHEMBL12166405

SCHEMBL12166405

CC(C)(C)OC(=O)N1C[C@](O)(c2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.42
▸ GPR119 Q8TDV5 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ GRIN2B Q13224 1/20 0.36

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
SCHEMBL17294854 1.00 RORC (0.42) RORCGPR119HSD17B10NR1H2NR1H3
SCHEMBL20446551 1.00 RORC (0.42) RORCGPR119HSD17B10NR1H2NR1H3
SCHEMBL20584659 1.00 RORC (0.42) RORCGPR119HSD17B10NR1H2NR1H3
SCHEMBL17294853 1.00 RORC (0.42) RORCGPR119HSD17B10NR1H2NR1H3
SCHEMBL12880874 0.93 NR1H2 (0.40) RORCGPR119NR1H2NR1H3KDM1A
SCHEMBL12166536 0.90 RORC (0.41) RORCGPR119HSD17B10NR1H2NR1H3
SCHEMBL12166384 0.89 RORC (0.41) RORCGRIN2B
SCHEMBL12880892 0.87 KMT2A (0.38) RORCGPR119NR1H2NR1H3
SCHEMBL21430555 0.84 F10 (0.38) RORCHSD17B10NR1H2NR1H3
SCHEMBL25360071 0.83 OPRK1 (0.41) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 — — US disclosed
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 (3 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 429/4885GPR119 772/4885HSD17B10 458/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 RORC 4594/4885GPR119 4204/4885HSD17B10 1103/4885
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 3611/4885GPR119 3042/4885HSD17B10 3050/4885

“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.