Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786510

SCHEMBL21786510

SCHEMBL21786510

C#CCCC(=O)NCCCOc1ccc(-c2cc(C(F)(F)F)n[nH]2)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOTUM Q6P988 4/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ BCR P11274 2/20 0.32
▸ SRC P12931 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ GCGR P47871 3/20 0.31
▸ GYS1 P13807 1/20 0.31
▸ P2RX7 Q99572 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
SCHEMBL22791225 0.86 ABL1 (0.33) S1PR1NOTUMABL1BCRSRC
SCHEMBL21786505 0.83 S1PR1 (0.30) S1PR1
SCHEMBL21786499 0.81 NOTUM (0.40) S1PR1NOTUMCYP1A2GYS1
SCHEMBL21786431 0.81 NOTUM (0.40) S1PR1NOTUMCYP1A2GCGRGYS1
SCHEMBL21786437 0.80 NOTUM (0.38) S1PR1NOTUMCYP1A2GYS1
SCHEMBL22790995 0.73 ALDH1A1 (0.34) L3MBTL1NOTUMCA1CA2CA7
SCHEMBL22791124 0.72 CARM1 (0.32) NOTUMMAPK14CA1CA2CA7
SCHEMBL22791335 0.70 ITK (0.43) TP53
SCHEMBL22790976 0.69 USP1 (0.39) TP53NOTUMCYP1A2GYS1P2RX7
SCHEMBL22791319 0.68 SLC6A4 (0.42) S1PR1NOTUMCYP1A2GYS1

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
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 — — US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 — — US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 — — WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 — — US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 — — 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 (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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 S1PR1 4118/4885TP53 5/4885MAPK1 1239/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 S1PR1 4118/4885TP53 5/4885MAPK1 1239/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 S1PR1 4118/4885TP53 5/4885MAPK1 1239/4885

“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.