Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786418

SCHEMBL21786418

SCHEMBL21786418

Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc(OCc2ccc(Cl)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ PTPN1 P18031 5/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ GYS1 P13807 1/20 0.39
▸ PTPN2 P17706 3/20 0.39
▸ PTPN6 P29350 3/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21786588 0.93 MRGPRX4 (0.39) MRGPRX4PTPN1CNR1SLC6A4PTGDR2
SCHEMBL21786447 0.93 GYS1 (0.39) MRGPRX4PTPN1CNR1SLC6A4GYS1
SCHEMBL21786408 0.92 HPGD (0.45) MRGPRX4PTPN1CNR1GYS1ALOX5AP
SCHEMBL21786629 0.90 MRGPRX4 (0.41) MRGPRX4PTPN1SLC6A4PTGDR2PTPN2
SCHEMBL22791321 0.90 GYS1 (0.38) MRGPRX4PTPN1CNR1SLC6A4GYS1
SCHEMBL21786596 0.90 MRGPRX4 (0.44) MRGPRX4CNR1SLC6A4PTGDR2TP53
SCHEMBL23913081 0.89 GYS1 (0.41) MRGPRX4CNR1PTGDR2GYS1ALOX5AP
SCHEMBL22790944 0.88 SMPD1 (0.39) MRGPRX4PTGDR2GYS1ALOX5APTP53
SCHEMBL23913084 0.88 GYS1 (0.37) MRGPRX4PTPN1CNR1SLC6A4GYS1
SCHEMBL21786417 0.88 ALOX5AP (0.37) MRGPRX4PTPN1CNR1SLC6A4GYS1

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 MRGPRX4 3150/4885PTPN1 3250/4885CNR1 2368/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MRGPRX4 3150/4885PTPN1 3250/4885CNR1 2368/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MRGPRX4 3150/4885PTPN1 3250/4885CNR1 2368/4885

“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.