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Sugi Predict / Compounds / SCHEMBL21786414

SCHEMBL21786414

SCHEMBL21786414

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2ccccc2OC(F)(F)F)c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 11/20 0.40
▸ STIM1 Q13586 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ GCGR P47871 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL21786411 0.84 KCNT1 (0.36) STIM1ORAI1ALDH1A1SMN1; SMN2SCN9A
SCHEMBL21786593 0.84 MRGPRX4 (0.40) STIM1ORAI1ALDH1A1RXRARXRB
SCHEMBL21786589 0.83 STIM1 (0.37) STIM1ORAI1ALDH1A1CYP2C9CYP2C19
SCHEMBL21786416 0.83 SLC6A4 (0.41) STIM1ORAI1CYP2C9CYP2C19RXRA
SCHEMBL30807084 0.83 SLC6A4 (0.39) STIM1ORAI1CYP2C9CYP2C19SCN9A
SCHEMBL21786465 0.83 SLC6A4 (0.39) STIM1ORAI1CYP2C9CYP2C19SCN9A
SCHEMBL21786611 0.83 SLC6A4 (0.39) STIM1ORAI1CYP2C9CYP2C19SCN9A
SCHEMBL29653521 0.83 SLC6A4 (0.39) STIM1ORAI1CYP2C9CYP2C19SCN9A
SCHEMBL21786530 0.83 MAPT (0.40) STIM1ORAI1LMNARXRARXRB
SCHEMBL21786450 0.82 CYP11B1 (0.39) STIM1ORAI1KDM4EALDH1A1LMNA

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 RORC 481/4885STIM1 3524/4885ORAI1 4867/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 RORC 481/4885STIM1 3524/4885ORAI1 4867/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 RORC 481/4885STIM1 3524/4885ORAI1 4867/4885

“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.