Sugi Predict

Sugi Predict / Compounds / SCHEMBL19958443

SCHEMBL19958443

SCHEMBL19958443

CC(C)NC(=O)OC1CC/C=C/CCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EPHX1 P07099 2/20 0.42
▸ KCNA3 P22001 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ DPP4 P27487 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ UGT8 Q16880 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
SCHEMBL8243916 0.85 EPHX1 (0.55) CYP3A4TSHRCYP2C19EPHX1KCNA3
SCHEMBL8395605 0.85 EPHX1 (0.50) CYP3A4TSHRCYP2C19EPHX1KCNA3
SCHEMBL11153395 0.83 EPHX1 (0.58) CYP3A4TSHRCYP2C19EPHX1KCNA3
SCHEMBL14501550 0.83 EPHX1 (0.47) CYP3A4TSHRCYP2C19EPHX1KCNA3
SCHEMBL26343002 0.82 EPHX1 (0.44) CYP3A4TSHRCYP2C19EPHX1KCNA3
SCHEMBL15397402 0.82 EPHX1 (0.44) CYP3A4TSHRCYP2C19EPHX1KCNA3
SCHEMBL31490424 0.80 EPHX1 (0.38) CYP3A4TSHRCYP2C19EPHX1SMN1; SMN2
SCHEMBL1628386 0.80 EPHX1 (0.38) CYP3A4TSHRCYP2C19EPHX1SMN1; SMN2
SCHEMBL756915 0.80 EPHX1 (0.38) CYP3A4TSHRCYP2C19EPHX1SMN1; SMN2
SCHEMBL2415802 0.79 CYP19A1 (0.43) CYP3A4TSHRCYP2C19EPHX1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065978-B1 NOVEL LINKER COMPOUNDS CAMBRIDGE ENTPR LTD (GB) 2023-12-13 — — EP disclosed
US-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS MC SAF (FR) 2023-09-07 — — US disclosed
US-20230133705-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2023-05-04 — — US disclosed
US-11535642-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2022-12-27 — — US disclosed
US-20180072767-A1 TREHALOSE ANALOGUES NATIONAL SCIENCE FOUNDATION 2018-03-15 — — 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 (4 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-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS SHBG, SERPINA6, F13B CYP3A4 2604/4885TSHR 2549/4885CYP2C19 3550/4885
US-20230133705-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CYP3A4 4128/4885TSHR 1614/4885CYP2C19 4637/4885
US-20180072767-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CYP3A4 4128/4885TSHR 1614/4885CYP2C19 4637/4885
US-11535642-B2 Trehalose analogues TREH, TALDO1, GALE CYP3A4 4128/4885TSHR 1614/4885CYP2C19 4637/4885

“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.