SCHEMBL20733265

SCHEMBL20733265

CC(S)N1C[C@H](C)O[C@@H](C)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PDK1 Q15118 1/20 0.35
EBP Q15125 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21165831 1.00 KDM4E (0.36) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL104800 0.79 PDK1 (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL10130710 0.79 PDK1 (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL10130709 0.79 PDK1 (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL1911485 0.79 PDK1 (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL19730584 0.76
SCHEMBL24044808 0.75 KDM4E (0.36) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL24654733 0.75 KDM4E (0.36) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL20192243 0.75 KDM4E (0.36) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL19701920 0.75 KDM4E (0.36) KDM4EALDH1A1GAACYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM4E 4219/4885ALDH1A1 3871/4885GAA 1228/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 1291/4885ALDH1A1 1067/4885GAA 1087/4885

“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.