SCHEMBL19010046

SCHEMBL19010046

Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
CA9 Q16790 3/20 0.49
MMP2 P08253 3/20 0.49
CA12 O43570 2/20 0.49
CA14 Q9ULX7 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 3/20 0.48
CA2 P00918 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 3/20 0.46
CA7 P43166 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL18980585 0.94 ALDH1A1 (0.50) GAATP53KMT2AL3MBTL1CA9
SCHEMBL18980952 0.93 UTS2R (0.54) GAATP53KMT2AL3MBTL1EGFR
SCHEMBL18980950 0.93 UTS2R (0.54) GAATP53KMT2AL3MBTL1EGFR
SCHEMBL18980854 0.90 CNR1 (0.54) KMT2AEGFRERBB2CA9MMP2
SCHEMBL28420194 0.85 CNR1 (0.54) GAATP53KMT2AL3MBTL1EGFR
SCHEMBL15871417 0.85 ALDH1A1 (0.56) GAAKMT2AL3MBTL1CA9MMP2
SCHEMBL27168770 0.83 ALDH1A1 (0.57) GAAKMT2AL3MBTL1CA9MMP2
SCHEMBL10706175 0.81 MAPT (0.60) GAACA9MMP2CA12CA14
SCHEMBL29011603 0.80 KMT2A (0.45) GAATP53KMT2AL3MBTL1EGFR
SCHEMBL29740753 0.78 MAPT (0.56) GAATP53KMT2AEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 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 (1 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY GAA 3381/4885TP53 4050/4885KMT2A 2292/4885

“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.