SCHEMBL22791106

SCHEMBL22791106

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2ccc(C(N)O)cc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SCN9A Q15858 1/20 0.33
PTPN1 P18031 1/20 0.33
CCR5 P51681 2/20 0.32
CNR1 P21554 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
SCHEMBL21786416 0.89 SLC6A4 (0.41) STIM1ORAI1PTGS1PTGS2CYP3A4
SCHEMBL22791107 0.87 STIM1 (0.43) STIM1ORAI1HTR2AHTR2CPTGER1
SCHEMBL21786621 0.86 ARF6 (0.40) STIM1ORAI1SCN9ACCR5CNR1
SCHEMBL21786589 0.85 STIM1 (0.37) STIM1ORAI1PTGS1PTGS2CYP3A4
SCHEMBL30807084 0.85 SLC6A4 (0.39) STIM1ORAI1PTGS1PTGS2CYP3A4
SCHEMBL21786611 0.85 SLC6A4 (0.39) STIM1ORAI1PTGS1PTGS2CYP3A4
SCHEMBL21786465 0.85 SLC6A4 (0.39) STIM1ORAI1PTGS1PTGS2CYP3A4
SCHEMBL29653521 0.85 SLC6A4 (0.39) STIM1ORAI1PTGS1PTGS2CYP3A4
SCHEMBL23913083 0.84 SMN1; SMN2 (0.38) STIM1ORAI1PTGS1PTGS2CYP3A4
SCHEMBL21786411 0.83 KCNT1 (0.36) STIM1ORAI1PTGS1PTGS2SCN9A

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 2 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US 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 (2 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 STIM1 3524/4885ORAI1 4867/4885PTGS1 4608/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885PTGS1 4608/4885

“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.