SCHEMBL21786437

SCHEMBL21786437

NCCOc1ccc(-c2cc(C(F)(F)F)n[nH]2)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.38
GYS1 P13807 1/20 0.38
CYP1A2 P05177 1/20 0.35
S1PR1 P21453 7/20 0.35
HTR2A P28223 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
SCHEMBL21786499 0.95 NOTUM (0.40) NOTUMGYS1CYP1A2S1PR1
SCHEMBL21786431 0.90 NOTUM (0.40) NOTUMGYS1CYP1A2S1PR1
SCHEMBL22791143 0.80 PRMT5 (0.38)
SCHEMBL21786510 0.80 S1PR1 (0.33) NOTUMGYS1CYP1A2S1PR1
SCHEMBL22791225 0.80 ABL1 (0.33) NOTUMS1PR1
SCHEMBL22791319 0.77 SLC6A4 (0.42) NOTUMGYS1CYP1A2S1PR1
SCHEMBL22791227 0.77 HTR2A (0.38) NOTUMS1PR1HTR2A
SCHEMBL21786435 0.76 COMT (0.37) NOTUMHTR2A
SCHEMBL22790976 0.76 USP1 (0.39) NOTUMGYS1CYP1A2
SCHEMBL22791057 0.76 NOTUM (0.35) NOTUMGYS1CYP1A2

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 NOTUM 4428/4885GYS1 4422/4885CYP1A2 3642/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 NOTUM 4428/4885GYS1 4422/4885CYP1A2 3642/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 NOTUM 4428/4885GYS1 4422/4885CYP1A2 3642/4885

“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.