SCHEMBL938251

SCHEMBL938251

CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(Oc3ccc(=O)n(C)n3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.57
▸ CYP2E1 P05181 1/20 0.48
▸ AXL P30530 3/20 0.32
▸ MERTK Q12866 3/20 0.32
▸ TYRO3 Q06418 2/20 0.32

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
SCHEMBL15354582 1.00 NR1I2 (0.57) NR1I2CYP2E1AXLMERTKTYRO3
SCHEMBL12909877 1.00 NR1I2 (0.57) NR1I2CYP2E1AXLMERTKTYRO3
SCHEMBL12909875 1.00 NR1I2 (0.57) NR1I2CYP2E1AXLMERTKTYRO3
SCHEMBL938472 0.93 NR1I2 (0.49) NR1I2CYP2E1AXLMERTKTYRO3
SCHEMBL12909876 0.93 NR1I2 (0.49) NR1I2CYP2E1AXLMERTKTYRO3
SCHEMBL12909874 0.93 NR1I2 (0.49) NR1I2CYP2E1AXLMERTKTYRO3
SCHEMBL937137 0.86 NR1I2 (0.54) NR1I2CYP2E1
SCHEMBL937140 0.86 NR1I2 (0.54) NR1I2CYP2E1
SCHEMBL15015362 0.86 NR1I2 (0.54) NR1I2CYP2E1
SCHEMBL12909691 0.86 NR1I2 (0.51) NR1I2CYP2E1

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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 — — US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 — — US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 — — EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 — — 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885AXL 2820/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885AXL 2820/4885

“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.

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