Sugi Predict

Sugi Predict / Compounds / SCHEMBL16130358

SCHEMBL16130358

SCHEMBL16130358

C=CCCCOC(=O)[C@H](C)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ ABCC4 O15439 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ LPAR3 Q9UBY5 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ GRIN2D O15399 1/20 0.32

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
SCHEMBL16130378 0.94 ALDH1A1 (0.42) ALDH1A1LMNATSHRCYP3A4MAPT
SCHEMBL16130385 0.88 TSHR (0.41) ALDH1A1LMNATSHRCYP3A4MAPT
SCHEMBL16130365 0.82 SLC7A5 (0.41) ALDH1A1LMNATSHRCYP3A4MAPT
SCHEMBL16130372 0.80 TDP1 (0.41) ALDH1A1TSHRCYP3A4MAPTL3MBTL1
SCHEMBL15802651 0.79 NAAA (0.41) ALDH1A1TSHRCYP3A4CHRNB2CHRNB4
SCHEMBL15623821 0.79 NAAA (0.41) ALDH1A1TSHRCYP3A4CHRNB2CHRNB4
SCHEMBL28439905 0.79 NAAA (0.41) ALDH1A1TSHRCYP3A4CHRNB2CHRNB4
SCHEMBL28268034 0.79 NAAA (0.41) ALDH1A1TSHRCYP3A4CHRNB2CHRNB4
SCHEMBL27982815 0.78 ALDH1A1 (0.44) ALDH1A1LMNATSHRCYP3A4MAPT
SCHEMBL8635690 0.78 ALDH1A1 (0.41) ALDH1A1LMNATSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092849-A1 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2024-03-21 — — US claimed
US-20190077840-A1 SELECTIVE MCL-1 BINDING PEPTIDES NATIONAL INSTITUTES OF HEALTH 2019-03-14 — — US claimed
WO-2017075349-A2 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-05-04 — — WO claimed
US-20240101604-A1 SELECTIVE MENA BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2024-03-28 — — US disclosed
US-20240092849-A1 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2024-03-21 — — US disclosed
US-20210363207-A1 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-11-25 — — US disclosed
CN-110248953-A Novel stapler peptide and application thereof 蒙彼利埃大学 2019-09-17 — — CN disclosed
US-20190077840-A1 SELECTIVE MCL-1 BINDING PEPTIDES NATIONAL INSTITUTES OF HEALTH 2019-03-14 — — US disclosed
WO-2017075349-A2 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-05-04 — — WO disclosed
US-8846638-B2 Macrocyclic nucleoside phosphoramidate derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-09-30 — — US disclosed
US-8846638-B2 Macrocyclic nucleoside phosphoramidate derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-09-30 — — 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 (3 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-20190077840-A1 SELECTIVE MCL-1 BINDING PEPTIDES MCL1, BCL2L11, BCL2L1 ALDH1A1 4059/4885LMNA 1947/4885TSHR 4044/4885
US-20240092849-A1 SELECTIVE MCL-1 BINDING PEPTIDES MCL1, BCL2L11, BCL2L1 ALDH1A1 4059/4885LMNA 1947/4885TSHR 4044/4885
US-20210363207-A1 SELECTIVE MCL-1 BINDING PEPTIDES MCL1, BCL2L11, BCL2L1 ALDH1A1 4059/4885LMNA 1947/4885TSHR 4044/4885

“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.