SCHEMBL21786529

SCHEMBL21786529

Cn1nc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2O)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN6 P29350 2/20 0.39
MRGPRX4 Q96LA9 7/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
PTGER1 P34995 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
PPARD Q03181 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL21786600 0.92 MRGPRX4 (0.38) PTPN2PTPN1PTPN6MRGPRX4RXRA
SCHEMBL21786590 0.88 NPSR1 (0.36) PTPN2PTPN1PTPN6MRGPRX4RXRA
SCHEMBL21786429 0.88 MEN1 (0.40) PTPN2PTPN1PTPN6MRGPRX4PTGER1
SCHEMBL22791128 0.88 PTGER1 (0.41) MRGPRX4RXRARXRBRXRGPTGER1
SCHEMBL22791194 0.85 MRGPRX4 (0.39) PTPN1MRGPRX4PTGER1ALOX5ALOX5AP
SCHEMBL21786533 0.83 ALPL (0.43) PTPN2PTPN1PTPN6MRGPRX4RXRA
SCHEMBL21786627 0.81 MAPT (0.41) PTPN2PTPN1PTPN6MRGPRX4RXRA
SCHEMBL21786420 0.81 PTPN1 (0.40) PTPN2PTPN1PTPN6MRGPRX4RXRA
SCHEMBL21786589 0.81 STIM1 (0.37) PTPN2PTPN1PTPN6MRGPRX4RXRA
SCHEMBL21786535 0.80 THRB (0.36) PTPN2PTPN1PTPN6RXRARXRB

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

“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.