SCHEMBL13527745

SCHEMBL13527745

CO[C@H](c1ccc(N2CC[C@H](O)C2)cc1)[C@@H](CF)N=[N+]=[N-]

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WDR91 A4D1P6 1/20 0.36
▸ RORC P51449 5/20 0.33
▸ ACACB O00763 12/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ AR P10275 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
SCHEMBL13527743 1.00 WDR91 (0.36) WDR91RORCACACBPHGDHAR
SCHEMBL20026296 1.00 WDR91 (0.36) WDR91RORCACACBPHGDHAR
SCHEMBL14082941 0.91 ACACB (0.32) ACACB
SCHEMBL20026301 0.89 ACACB (0.32) ACACB
SCHEMBL13527747 0.89 ACACB (0.32) ACACB
SCHEMBL13527746 0.89 ACACB (0.32) ACACB
SCHEMBL14082958 0.87 ACACB (0.37) ACACB
SCHEMBL14083857 0.87 PRKD3 (0.34) ACACB
SCHEMBL14082966 0.87 ACACB (0.37) ACACB
SCHEMBL14082964 0.87 ACACB (0.32) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 — — US disclosed
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2013-03-14 — — US disclosed
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2013-03-14 — — US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 — — US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 — — US disclosed
WO-2008106224-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 — — 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 (5 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 WDR91 1814/4885RORC 289/4885ACACB 3296/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP WDR91 1756/4885RORC 316/4885ACACB 3008/4885
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP WDR91 1756/4885RORC 316/4885ACACB 3008/4885
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP WDR91 1756/4885RORC 316/4885ACACB 3008/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP WDR91 1756/4885RORC 316/4885ACACB 3008/4885

“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.

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