SCHEMBL16383458

SCHEMBL16383458

CCOC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CTSK P43235 5/20 0.43
▸ CTSS P25774 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ REN P00797 1/20 0.40
▸ CTSD P07339 1/20 0.40

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
SCHEMBL20052432 0.91 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL10144173 0.90 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL15462624 0.86 SMN1; SMN2 (0.49) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL10144064 0.84 CTSS (0.57) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13934290 0.83 CTSK (0.53) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13921047 0.82 CTSK (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13956771 0.81 CTSK (0.55) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721327 0.81 CTSK (0.55) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL30064534 0.81 CTSK (0.45) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL16383328 0.81 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK

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-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 — — US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 — — 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 (1 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-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO TMT1A, LPO, GSTO1 CYP1A2 1938/4885CYP2C9 1394/4885CYP2C19 2688/4885

“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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