SCHEMBL2010779

SCHEMBL2010779

CCS(=O)(=O)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TXNRD1 Q16881 2/20 0.37
TAAR1 Q96RJ0 4/20 0.37
HTR1A P08908 1/20 0.37
TXN P10599 1/20 0.34
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALPL P05186 1/20 0.33
PSIP1 O75475 1/20 0.32
COMT P21964 1/20 0.32
ALOX15 P16050 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
NPC1 O15118 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
SCHEMBL4686081 0.83 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TXNRD1TAAR1HTR1A
SCHEMBL2851629 0.81 EPHX2 (0.39) TXNRD1TAAR1HTR1ACYP1A2CYP3A4
SCHEMBL4686083 0.81 TBXAS1 (0.36) ALDH1A1SMN1; SMN2TXNRD1KDM4EALOX15
SCHEMBL4682203 0.79 TAAR1 (0.33) ALDH1A1SMN1; SMN2TXNRD1TAAR1HTR1A
SCHEMBL4684150 0.79 TXNRD1 (0.33) ALDH1A1SMN1; SMN2TXNRD1TAAR1TXN
SCHEMBL4682206 0.78 CA2 (0.36) ALDH1A1SMN1; SMN2TXNRD1TAAR1HTR1A
Hydrochloric Acid SCHEMBL4005242 0.77 TXNRD1 (0.33) ALDH1A1SMN1; SMN2TXNRD1TAAR1TXN
SCHEMBL7360834 0.77 TXNRD1 (0.33) ALDH1A1SMN1; SMN2TXNRD1TAAR1TXN
SCHEMBL11071751 0.77 TXNRD1 (0.38) ALDH1A1SMN1; SMN2TXNRD1TXNKDM4E
SCHEMBL4684154 0.77 FDPS (0.36) ALDH1A1SMN1; SMN2TXNRD1TAAR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101362755-B Sulfosulfuron preparation method JIANGSU AGROCHEM LAB 2012-01-11 CN claimed
CN-101362755-A Sulfosulfuron preparation method JIANGSU AGRICULTURAL HORMONE E (CN) 2009-02-11 CN claimed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
EP-1934238-B1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2017-06-28 EP disclosed
WO-2016172631-A2 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-10-27 WO disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 US disclosed
CN-101362755-A Sulfosulfuron preparation method JIANGSU AGRICULTURAL HORMONE E (CN) 2009-02-11 CN disclosed
WO-2008143730-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2008106224-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2008106204-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X-PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2008091475-A1 SULFONYL GRAFTED HETEROCYCLE MATERIALS FOR PROTON CONDUCTING ELECTROLYTES TOYOTA MOTOR ENGINERING & MANUFACTURING NORTH AMERICA, INC. (US) 2008-07-31 WO disclosed
CN-101230113-A Sulfonyl grafted heterocycle materials for proton conducting electrolytes TOYOTA MOTOR ENGINERING & MFG (US) 2008-07-30 CN disclosed
US-20080152985-A1 SULFONYL GRAFTED HETEROCYCLE MATERIALS FOR PROTON CONDUCTING ELECTROLYTES Toyota Engineering & Manufacturing North America, Inc. (US) 2008-06-26 US disclosed
WO-2007025284-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2007-03-01 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 (4 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-20100016956-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, PGC ALDH1A1 3557/4885SMN1; SMN2 4620/4885TXNRD1 1076/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP ALDH1A1 3532/4885SMN1; SMN2 4598/4885TXNRD1 1264/4885
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP ALDH1A1 3532/4885SMN1; SMN2 4598/4885TXNRD1 1264/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP ALDH1A1 3532/4885SMN1; SMN2 4598/4885TXNRD1 1264/4885

“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.