Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786436

SCHEMBL21786436

SCHEMBL21786436

CCCCOc1ccc(-c2cc(C(F)(F)F)[nH]n2)c(O)c1-c1cncc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ PPARD Q03181 9/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL21786545 0.89 HPGD (0.37) HPGDTP53ALOX15MAPK1HSD17B10
SCHEMBL21786489 0.81 AGER (0.35) PTGDR2PPARDPPARAPARP10PARP11
SCHEMBL21786617 0.81 LTB4R (0.36) PTGDR2PPARDPPARALTB4RLTB4R2
SCHEMBL22791224 0.79 PPARD (0.34) PTGDR2PPARDPPARACYP11B1CYP11B2
SCHEMBL22791006 0.78 PPARD (0.33) PTGDR2PPARDPPARALTB4RLTB4R2
SCHEMBL21786496 0.76 HPGD (0.45) HPGDTP53ALOX15MAPK1HSD17B10
SCHEMBL21786426 0.76 PPARD (0.33) PTGDR2PPARDPPARALTB4RLTB4R2
SCHEMBL21786471 0.74 PTGDR2 (0.39) PTGDR2PPARDPPARALTB4RLTB4R2
SCHEMBL22791143 0.74 PRMT5 (0.38) MAPK1PARP10PARP11CYP11B1CYP11B2
SCHEMBL12968466 0.72 ALOX15 (0.53) HPGDTP53ALOX15MAPK1HSD17B10

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 HPGD 2582/4885TP53 5/4885ALOX15 4648/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 HPGD 2582/4885TP53 5/4885ALOX15 4648/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 HPGD 2582/4885TP53 5/4885ALOX15 4648/4885

“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.