SCHEMBL21786534

SCHEMBL21786534

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(F)cc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPN6 P29350 2/20 0.36
LRRK2 Q5S007 3/20 0.35
SRPK3 Q9UPE1 1/20 0.35
KMT2A Q03164 1/20 0.34
PPARG P37231 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PSEN1 P49768 1/20 0.33

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
SCHEMBL21786589 0.92 STIM1 (0.37) PTPN2PTPN1PTPN6KMT2ARXRA
SCHEMBL21786614 0.91 PTGS2 (0.39) PTPN2PTPN1PTPN6MAPT
SCHEMBL22791183 0.89 MAPT (0.38) PTPN2PTPN1PTPN6KMT2AMAPT
SCHEMBL21786479 0.85 STIM1 (0.36) PTPN1KMT2ARXRARXRBRXRG
SCHEMBL21786416 0.84 SLC6A4 (0.41) PTGER1PTPN2PTPN1PTPN6RXRA
SCHEMBL21786530 0.84 MAPT (0.40) PTPN2PTPN1PTPN6LRRK2KMT2A
SCHEMBL21786605 0.84 PTGS2 (0.37)
SCHEMBL21786504 0.84 PTGDR2 (0.36) STIM1ORAI1ALOX5
SCHEMBL21786535 0.83 THRB (0.36) PTGER1GPBAR1PTPN2PTPN1PTPN6
SCHEMBL21786494 0.83 AKR1C3 (0.40) KMT2AKDM4EMAPTALOX5

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 4862/4885GPBAR1 4304/4885PTPN2 3257/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGER1 4862/4885GPBAR1 4304/4885PTPN2 3257/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGER1 4862/4885GPBAR1 4304/4885PTPN2 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.