SCHEMBL27167397

SCHEMBL27167397

CCOC(=O)c1nc(CC)ccc1NC=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.49
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL7687953 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP1CASP7SMN1; SMN2
SCHEMBL8107490 0.76 ALDH1A1 (0.77) ALDH1A1HSD17B10SMN1; SMN2RAB9ACYP1A2
SCHEMBL24315862 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP1CASP7SMN1; SMN2
SCHEMBL16112294 0.73 RAB9A (0.70) ALDH1A1HSD17B10SMN1; SMN2CYP2C9RAB9A
SCHEMBL9106674 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10CASP1CASP7SMN1; SMN2
SCHEMBL10090866 0.70 HPGD (0.55) ALDH1A1SMN1; SMN2CYP2C9RAB9AMAPT
SCHEMBL2801691 0.70 RAB9A (0.49) ALDH1A1HSD17B10CASP1CASP7CYP2C9
SCHEMBL4905420 0.69 ALDH1A1 (0.46) ALDH1A1HSD17B10SMN1; SMN2RAB9ACYP1A2
SCHEMBL21200870 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP1CASP7SMN1; SMN2
SCHEMBL2159977 0.68 PDE10A (0.49) ALDH1A1SMN1; SMN2RAB9AKDM4E

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-20240262822-A1 WDR5 INHIBITORS AND MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-08-08 US disclosed
EP-4334305-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2024-03-13 EP disclosed
WO-2022236101-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2022-11-10 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 (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-20240262822-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 ALDH1A1 3561/4885HSD17B10 2723/4885CASP1 2830/4885

“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.