Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786536

SCHEMBL21786536

SCHEMBL21786536

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.41
▸ TBXA2R P21731 3/20 0.41
▸ MRGPRX4 Q96LA9 4/20 0.39
▸ SLC6A4 P31645 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GYS1 P13807 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RXRA P19793 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
SCHEMBL21786441 0.91 CYP19A1 (0.36) PTGER1TBXA2RMRGPRX4PTPN1CYP2C9
SCHEMBL21786482 0.91 TBXA2R (0.37) PTGER1TBXA2RMRGPRX4SLC6A4NPSR1
SCHEMBL22791110 0.90 TBXA2R (0.36) PTGER1TBXA2RMRGPRX4SLC6A4NPSR1
SCHEMBL21786475 0.89 TBXA2R (0.35) PTGER1TBXA2RMRGPRX4SLC6A4NPSR1
SCHEMBL22791109 0.88 CNR1 (0.37) PTGER1TBXA2RMRGPRX4CNR1
SCHEMBL23913056 0.86 TBXA2R (0.35) PTGER1TBXA2RMRGPRX4NPSR1MEN1
SCHEMBL22791143 0.83 PRMT5 (0.38) ALOX5AP
SCHEMBL21786476 0.83 POLB (0.36) TBXA2RMRGPRX4SLC6A4NPSR1MEN1
SCHEMBL21786481 0.82 PTPN1 (0.40) PTGER1MRGPRX4NPSR1PTPN1GYS1
SCHEMBL22791108 0.82 CYP11B1 (0.37) MRGPRX4SLC6A4MEN1KMT2APTPN1

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 PTGER1 4862/4885TBXA2R 3168/4885MRGPRX4 3150/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGER1 4862/4885TBXA2R 3168/4885MRGPRX4 3150/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGER1 4862/4885TBXA2R 3168/4885MRGPRX4 3150/4885

“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.