Sugi Predict

Sugi Predict / Compounds / SCHEMBL324394

SCHEMBL324394

SCHEMBL324394

COC(=O)c1sc(C#CC(C)(C)C)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTPN2 P17706 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RAF1 P04049 7/20 0.33
▸ MAPK14 Q16539 6/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL325330 0.89 HSD17B10 (0.33) HSD17B10MAPTTSHRKMT2APTPN2
SCHEMBL10206102 0.84 SMN1; SMN2 (0.39) HSD17B10MAPTTSHRKMT2AL3MBTL1
SCHEMBL432666 0.83 NR1I2 (0.39) L3MBTL1NR1I2
SCHEMBL325928 0.82 MAPT (0.35) HSD17B10MAPTTSHRKMT2AL3MBTL1
SCHEMBL10264822 0.82 TSHR (0.35) HSD17B10MAPTTSHRKMT2AL3MBTL1
SCHEMBL101448 0.82 KDM4E (0.45) HSD17B10MAPTTSHRKMT2AKDM4E
SCHEMBL10264813 0.80 MAPT (0.33) HSD17B10MAPTTSHRKMT2AL3MBTL1
SCHEMBL15124184 0.79 ALDH1A1 (0.38) HSD17B10MAPTTSHRKMT2ANOTUM
SCHEMBL668964 0.79 MAPT (0.35) HSD17B10MAPTTSHRKMT2ANOTUM
SCHEMBL18643827 0.79 MAPT (0.33) HSD17B10MAPTTSHRKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9498483-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2016-11-22 — — US disclosed
US-9498483-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2016-11-22 — — US disclosed
US-9498483-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2016-11-22 — — US disclosed
US-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2015-08-13 — — US disclosed
US-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2015-08-13 — — US disclosed
US-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2015-08-13 — — US disclosed
US-9040690-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2015-05-26 — — US disclosed
US-9040690-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2015-05-26 — — US disclosed
US-9040690-B2 2,3,5-trisubstituted thiophene compounds and uses thereof NOVARTIS AG (CH) 2015-05-26 — — US disclosed
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 — — US disclosed
US-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2013-05-16 — — US disclosed
US-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof NOVARTIS AG (CH) 2013-05-16 — — US disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 — — EP disclosed
WO-2012010663-A9 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2013-01-24 — — WO disclosed
WO-2012010663-A9 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2013-01-24 — — WO disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 — — WO disclosed
WO-2012010663-A1 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2012-01-26 — — WO disclosed
WO-2012010663-A1 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2012-01-26 — — WO disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — WO disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — 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 (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-20150224109-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof TPMT, CYP3A5, CYP11B2 HSD17B10 892/4885MAPT 2512/4885TSHR 1683/4885
US-20130123252-A1 2,3,5-Trisubstituted Thiophene Compounds and Uses Thereof TPMT, CYP3A5, CYP11B2 HSD17B10 892/4885MAPT 2512/4885TSHR 1683/4885
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS GOT1, RNASE1, SLC10A1 HSD17B10 543/4885MAPT 912/4885TSHR 4428/4885

“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.