SCHEMBL21786477

SCHEMBL21786477

Nc1ccc(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 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.39
PTPN6 P29350 5/20 0.39
PTPN2 P17706 4/20 0.39
MAOB P27338 4/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
IKBKB O14920 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
PTPRC P08575 1/20 0.34
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AR P10275 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
SCHEMBL21786481 0.91 PTPN1 (0.40) PTPN1PTPN6PTPN2MRGPRX4RXRA
SCHEMBL21786441 0.91 CYP19A1 (0.36) PTPN1PTPN6PTPN2MAOBMRGPRX4
SCHEMBL21786472 0.89 MAPT (0.41) PTPN1PTPN6PTPN2MRGPRX4
SCHEMBL21786495 0.86 PPARD (0.37) PTPN1PTPN6PTPN2MAOBMRGPRX4
SCHEMBL21786538 0.82 IKBKB (0.34) IKBKB
SCHEMBL21786536 0.81 PTGER1 (0.41) PTPN1PTPN6PTPN2MRGPRX4RXRA
SCHEMBL21786471 0.81 PTGDR2 (0.39) IKBKB
SCHEMBL22791108 0.81 CYP11B1 (0.37) PTPN1PTPN6PTPN2MRGPRX4CYP19A1
SCHEMBL21786483 0.80 ESR1 (0.34) IKBKB
SCHEMBL21786541 0.80 PTGDR2 (0.36) IKBKB

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 PTPN1 3250/4885PTPN6 3151/4885PTPN2 3257/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTPN1 3250/4885PTPN6 3151/4885PTPN2 3257/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTPN1 3250/4885PTPN6 3151/4885PTPN2 3257/4885

“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.