SCHEMBL21786540

SCHEMBL21786540

CCCCCCOc1ccc(-c2cc(C(F)(F)F)n[nH]2)c(O)c1-c1cncc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
GYS1 P13807 1/20 0.33
IKBKB O14920 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL22791119 0.97 USP7 (0.38) USP7ALDH1A1HPGDKDM4EHTT
SCHEMBL21786539 0.88 XDH (0.35) USP7CYP1A2METAP2GYS1
SCHEMBL21786617 0.88 LTB4R (0.36) CNR1CNR2THRATHRBPTGDR2
SCHEMBL21786487 0.83 USP7 (0.36) USP7ALDH1A1HPGDKDM4EHTT
SCHEMBL22791109 0.82 CNR1 (0.37) USP7CYP1A2METAP2CNR1
SCHEMBL21786541 0.82 PTGDR2 (0.36) IKBKBTHRATHRBPTGDR2
SCHEMBL21786486 0.81 USP7 (0.36) USP7ALDH1A1HPGDKDM4EHTT
SCHEMBL21786433 0.80 SCN9A (0.37) USP7
SCHEMBL21786471 0.78 PTGDR2 (0.39) IKBKBCNR1CNR2PTGDR2
SCHEMBL21786538 0.75 IKBKB (0.34) IKBKBPTGDR2

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 USP7 2955/4885ALDH1A1 3133/4885HPGD 2582/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 USP7 2955/4885ALDH1A1 3133/4885HPGD 2582/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 USP7 2955/4885ALDH1A1 3133/4885HPGD 2582/4885

“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.