SCHEMBL21786495

SCHEMBL21786495

C#CCOc1ccc(COc2ccc(-c3cc(C(F)(F)F)n[nH]3)c(O)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
PPARG P37231 3/20 0.37
PTPN1 P18031 6/20 0.36
PTPN2 P17706 4/20 0.36
PTPN6 P29350 4/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PTPRC P08575 1/20 0.31
SMPD1 P17405 1/20 0.31
AR P10275 1/20 0.31
GSTP1 P09211 1/20 0.31
PDE2A O00408 1/20 0.30
MAOB P27338 2/20 0.30

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
SCHEMBL21786472 0.88 MAPT (0.41) PPARDPTPN1PTPN2PTPN6GAA
SCHEMBL21786481 0.86 PTPN1 (0.40) PTPN1PTPN2PTPN6MRGPRX4RXRA
SCHEMBL21786477 0.86 PTPN1 (0.39) PTPN1PTPN2PTPN6MRGPRX4RXRA
SCHEMBL21786610 0.79 MAPT (0.38) PPARDPPARAGAA
SCHEMBL21786471 0.79 PTGDR2 (0.39) PPARDPPARAPPARG
SCHEMBL21786538 0.78 IKBKB (0.34) PPARDPPARAPPARGMGAMGAA
SCHEMBL21786536 0.77 PTGER1 (0.41) PTPN1PTPN2PTPN6MRGPRX4RXRA
SCHEMBL21786441 0.77 CYP19A1 (0.36) PTPN1PTPN2PTPN6MRGPRX4RXRA
SCHEMBL22791108 0.77 CYP11B1 (0.37) PPARDPPARAPTPN1PTPN2PTPN6
SCHEMBL21786541 0.75 PTGDR2 (0.36) PPARD

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 PPARD 1970/4885PPARA 2700/4885PPARG 2010/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PPARD 1970/4885PPARA 2700/4885PPARG 2010/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PPARD 1970/4885PPARA 2700/4885PPARG 2010/4885

“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.