SCHEMBL21786533

SCHEMBL21786533

O=C(O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2O)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.43
CA12 O43570 2/20 0.43
PTPN2 P17706 3/20 0.42
PTPN1 P18031 3/20 0.42
PTPN6 P29350 3/20 0.42
MARS1 P56192 1/20 0.41
MRGPRX4 Q96LA9 7/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
RHEB Q15382 1/20 0.38

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
SCHEMBL21786532 0.89 ALPL (0.51) ALPLPTPN2PTPN1PTPN6MRGPRX4
SCHEMBL21786588 0.87 MRGPRX4 (0.39) PTPN2PTPN1PTPN6MRGPRX4PTGDR2
SCHEMBL21786529 0.83 PTPN2 (0.39) PTPN2PTPN1PTPN6MRGPRX4PTGDR2
SCHEMBL21786418 0.80 MRGPRX4 (0.43) PTPN2PTPN1PTPN6MRGPRX4PTGDR2
SCHEMBL21786629 0.80 MRGPRX4 (0.41) PTPN2PTPN1PTPN6MRGPRX4PTGDR2
SCHEMBL21786590 0.79 NPSR1 (0.36) PTPN2PTPN1PTPN6MRGPRX4RXRA
SCHEMBL21786429 0.79 MEN1 (0.40) PTPN2PTPN1PTPN6MRGPRX4PTGDR2
SCHEMBL21786600 0.78 MRGPRX4 (0.38) CA12PTPN2PTPN1PTPN6MRGPRX4
SCHEMBL21786408 0.78 HPGD (0.45) PTPN1MRGPRX4
SCHEMBL24127176 0.77 ALPL (0.58) ALPL

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 ALPL 4695/4885CA12 4843/4885PTPN2 3257/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 ALPL 4695/4885CA12 4843/4885PTPN2 3257/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 ALPL 4695/4885CA12 4843/4885PTPN2 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.