SCHEMBL15628617

SCHEMBL15628617

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ WDR91 A4D1P6 1/20 0.40
▸ RORC P51449 5/20 0.36
▸ AR P10275 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ ACACB O00763 8/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL15628618 1.00 WDR91 (0.40) WDR91RORCARPHGDHLOXL2
SCHEMBL15628606 0.88 DPP4 (0.35) ACACB
SCHEMBL15628549 0.88 DPP4 (0.35) ACACB
SCHEMBL15628607 0.80 ALDH1A1 (0.38) —
SCHEMBL13527745 0.80 WDR91 (0.36) WDR91RORCARPHGDHACACB
SCHEMBL20026296 0.80 WDR91 (0.36) WDR91RORCARPHGDHACACB
SCHEMBL13527743 0.80 WDR91 (0.36) WDR91RORCARPHGDHACACB
SCHEMBL15628457 0.79 ALDH1A1 (0.40) —
SCHEMBL20026360 0.79 ACACB (0.30) ACACB
SCHEMBL19062581 0.78 ALDH1A1 (0.41) RORC

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 3 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
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

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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP WDR91 1756/4885RORC 316/4885AR 4501/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP WDR91 1756/4885RORC 316/4885AR 4501/4885

“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.

Send feedback