Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786482

SCHEMBL21786482

SCHEMBL21786482

Oc1c(-c2cc(C(F)(F)F)n[nH]2)ccc(OCc2ccc(Cl)cc2)c1-c1cncc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 4/20 0.37
▸ PTGER1 P34995 4/20 0.37
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ GYS1 P13807 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ LMNA P02545 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
SCHEMBL21786536 0.91 PTGER1 (0.41) TBXA2RPTGER1SLC6A4MRGPRX4GYS1
SCHEMBL22791110 0.90 TBXA2R (0.36) TBXA2RPTGER1SLC6A4MRGPRX4GYS1
SCHEMBL21786475 0.89 TBXA2R (0.35) TBXA2RPTGER1SLC6A4MRGPRX4GYS1
SCHEMBL22791109 0.88 CNR1 (0.37) TBXA2RPTGER1MRGPRX4CCR5
SCHEMBL23913056 0.86 TBXA2R (0.35) TBXA2RPTGER1MRGPRX4GYS1ALOX5AP
SCHEMBL21786441 0.82 CYP19A1 (0.36) TBXA2RPTGER1MRGPRX4CYP11B1CYP11B2
SCHEMBL21786481 0.81 PTPN1 (0.40) PTGER1MRGPRX4GYS1MAPTNPSR1
SCHEMBL21786626 0.80 MAPT (0.39) MRGPRX4GYS1MAPTTP53TDP1
SCHEMBL21786597 0.79 MAPT (0.38) SLC6A4MRGPRX4MAPTTP53SMN1; SMN2
SCHEMBL21786537 0.79 SLC6A4 (0.39) TBXA2RPTGER1SLC6A4MRGPRX4

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 TBXA2R 3168/4885PTGER1 4862/4885SLC6A4 4129/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 TBXA2R 3168/4885PTGER1 4862/4885SLC6A4 4129/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 TBXA2R 3168/4885PTGER1 4862/4885SLC6A4 4129/4885

“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.