SCHEMBL1442845

SCHEMBL1442845

CC1CCC(C(=O)N(CCO)c2cc(C#CC(C)(C)C)sc2C(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.68
NR1I2 O75469 2/20 0.61
HTT P42858 1/20 0.31

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
SCHEMBL1442657 1.00 CYP2E1 (0.68) CYP2E1NR1I2HTT
SCHEMBL671145 0.89 CYP2E1 (0.65) CYP2E1NR1I2
SCHEMBL10207387 0.89 CYP2E1 (0.65) CYP2E1NR1I2
SCHEMBL15498321 0.89 CYP2E1 (0.74) CYP2E1NR1I2
SCHEMBL10206082 0.89 CYP2E1 (0.74) CYP2E1NR1I2
SCHEMBL15130848 0.89 CYP2E1 (0.64) CYP2E1NR1I2
SCHEMBL9961535 0.88 CYP2E1 (0.63) CYP2E1NR1I2
SCHEMBL1440612 0.88 CYP2E1 (0.63) CYP2E1NR1I2
SCHEMBL15498290 0.88 CYP2E1 (0.63) CYP2E1NR1I2
SCHEMBL2219208 0.87 NR1I2 (0.59) CYP2E1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 EP disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
EP-2507249-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-10-10 EP disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO 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-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CYP2E1 6/4885NR1I2 88/4885HTT 4622/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CYP2E1 6/4885NR1I2 88/4885HTT 4622/4885

“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.