SCHEMBL940165

SCHEMBL940165

COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ccccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.42
CYP2E1 P05181 1/20 0.42
P2RX3 P56373 4/20 0.36
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
BTK Q06187 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
SCHEMBL938003 0.93 NR1I2 (0.49) NR1I2CYP2E1P2RX3ACACBACACA
SCHEMBL12945278 0.88 P2RX3 (0.38) P2RX3ACACBACACAALDH1A1GAA
SCHEMBL12945275 0.81 P2RX3 (0.35) NR1I2CYP2E1P2RX3ACACBACACA
SCHEMBL669432 0.76 CYP2E1 (0.57) NR1I2CYP2E1ALDH1A1
SCHEMBL670275 0.76 CYP2E1 (0.57) NR1I2CYP2E1ALDH1A1
SCHEMBL12909658 0.75 CYP2E1 (0.56) NR1I2CYP2E1ALDH1A1
SCHEMBL10265018 0.75 NR1I2 (0.49) NR1I2CYP2E1
SCHEMBL15015370 0.75 NR1I2 (0.51) NR1I2CYP2E1ALDH1A1
SCHEMBL937331 0.75 ACACB (0.41) P2RX3ACACBACACA
SCHEMBL15450125 0.75 NR1I2 (0.49) NR1I2CYP2E1ACACB

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 10 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
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
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 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
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
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 6/4885P2RX3 3800/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885P2RX3 3800/4885

“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.