SCHEMBL138216

SCHEMBL138216

COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.53
CYP2E1 P05181 1/20 0.48
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GPR119 Q8TDV5 6/20 0.37
ALDH1A1 P00352 1/20 0.35
STS P08842 3/20 0.35
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
AEBP2 Q6ZN18 1/20 0.35
EPHX2 P34913 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 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
SCHEMBL138217 1.00 NR1I2 (0.53) NR1I2CYP2E1MEN1KMT2AGPR119
SCHEMBL2216688 0.95 NR1I2 (0.51) NR1I2CYP2E1MEN1KMT2AGPR119
SCHEMBL939293 0.92 NR1I2 (0.62) NR1I2CYP2E1MEN1KMT2AGPR119
SCHEMBL15510944 0.91 NR1I2 (0.57) NR1I2CYP2E1MEN1KMT2AALDH1A1
SCHEMBL668992 0.90 NR1I2 (0.42) NR1I2CYP2E1MEN1KMT2AGPR119
SCHEMBL668991 0.90 NR1I2 (0.42) NR1I2CYP2E1MEN1KMT2AGPR119
SCHEMBL101694 0.89 NR1I2 (0.58) NR1I2CYP2E1ALDH1A1
SCHEMBL133909 0.89 NR1I2 (0.58) NR1I2CYP2E1ALDH1A1
SCHEMBL15512080 0.89 NR1I2 (0.56) NR1I2CYP2E1ALDH1A1
SCHEMBL17635071 0.89 NR1I2 (0.56) NR1I2CYP2E1ALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-8658674-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-25 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals ( Canada) Incorporated (CA) 2012-03-08 US disclosed
US-8003685-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2011-08-23 US disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
WO-2011088303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES , INC. (US) 2011-07-21 WO disclosed
WO-2011088303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES , INC. (US) 2011-07-21 WO 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
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 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 (6 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 6/4885MEN1 4324/4885
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885MEN1 4324/4885
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 NR1I2 388/4885CYP2E1 98/4885MEN1 3348/4885
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885MEN1 4324/4885
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 NR1I2 388/4885CYP2E1 98/4885MEN1 3348/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885MEN1 4324/4885

“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.