Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786587

SCHEMBL21786587

SCHEMBL21786587

Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc(OCc2ccc(Cl)cc2)c1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ALOX5AP P20292 1/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL21786596 0.90 MRGPRX4 (0.44) ALOX15HSD17B10TP53MAPK1MRGPRX4
SCHEMBL21786628 0.86 SLC6A4 (0.40) ALOX15HSD17B10TP53MAPK1ALOX5AP
SCHEMBL21786417 0.86 ALOX5AP (0.37) ALOX15HSD17B10TP53MAPK1ALOX5AP
SCHEMBL21786588 0.85 MRGPRX4 (0.39) ALOX15HSD17B10TP53MAPK1ALOX5AP
SCHEMBL21786447 0.85 GYS1 (0.39) ALOX15HSD17B10TP53MAPK1ALOX5AP
SCHEMBL21786418 0.85 MRGPRX4 (0.43) ALOX15HSD17B10TP53MAPK1ALOX5AP
SCHEMBL21786469 0.84 SLC6A4 (0.40) ALOX15HSD17B10TP53MAPK1ALOX5AP
SCHEMBL21786463 0.84 ALOX5AP (0.43) ALOX15HSD17B10TP53MAPK1ALOX5AP
SCHEMBL21786629 0.84 MRGPRX4 (0.41) ALOX15HSD17B10TP53MAPK1MAPT
SCHEMBL21786408 0.84 HPGD (0.45) ALOX15HSD17B10TP53MAPK1ALOX5AP

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 ALOX15 4648/4885HSD17B10 3931/4885TP53 5/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 ALOX15 4648/4885HSD17B10 3931/4885TP53 5/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 ALOX15 4648/4885HSD17B10 3931/4885TP53 5/4885

“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.