SCHEMBL1003537

SCHEMBL1003537

NC(=O)c1c(F)c(F)c(C(F)(F)F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31

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
SCHEMBL811680 0.82 POLB (0.41) SMN1; SMN2TSHRKMT2AMEN1POLB
SCHEMBL161645 0.79 CES2 (0.42) SMN1; SMN2TSHRKMT2AMEN1POLB
SCHEMBL28298959 0.79 POLB (0.39) KMT2AMEN1POLB
SCHEMBL10606616 0.78 SMN1; SMN2 (0.48) SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL9073432 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TSHRKMT2AMEN1
Bromide SCHEMBL29086958 0.76 CES2 (0.40) SMN1; SMN2TSHRKMT2AMEN1POLB
SCHEMBL12544632 0.76 CES2 (0.40) SMN1; SMN2TSHRKMT2AMEN1POLB
SCHEMBL1703382 0.76 CES2 (0.40) SMN1; SMN2TSHRKMT2AMEN1POLB
SCHEMBL9526607 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL8466685 0.76 SMN1; SMN2 (0.47) SMN1; SMN2TSHRKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015131100-A1 LIGAND-CONTROLLED C(SP3)-H ARYLATION AND OLEFINATION IN SYNTHESIS OF UNNATURAL CHIRAL ALPHA AMINO ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-03 — — WO disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 — — US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 — — US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 — — US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 — — WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 — — 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B SMN1; SMN2 1017/4885TSHR 4283/4885KMT2A 3578/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B SMN1; SMN2 1017/4885TSHR 4283/4885KMT2A 3578/4885

“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.

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