SCHEMBL13404368

SCHEMBL13404368

Cc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(CCC#N)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 7/20 0.59
TSHR P16473 3/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
GAA P10253 8/20 0.55
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL13404417 0.82 L3MBTL1 (0.67) L3MBTL1ALDH1A1TSHRLMNAKMT2A
SCHEMBL13404363 0.78 ALDH1A1 (0.58) L3MBTL1ALDH1A1TSHRLMNAKMT2A
SCHEMBL13404356 0.77 ALDH1A1 (0.57) L3MBTL1ALDH1A1TSHRLMNAKMT2A
SCHEMBL13742881 0.77 ALDH1A1 (0.54) L3MBTL1ALDH1A1TSHRLMNAGAA
SCHEMBL13743129 0.75 L3MBTL1 (0.55) L3MBTL1ALDH1A1TSHRKMT2AGAA
SCHEMBL13404373 0.75 TSHR (0.51) L3MBTL1ALDH1A1TSHRLMNAKMT2A
SCHEMBL3596115 0.73 ALDH1A1 (0.43) L3MBTL1ALDH1A1TSHRLMNAKMT2A
SCHEMBL13742871 0.71 GAA (0.65) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL13743077 0.71 L3MBTL1 (0.58) L3MBTL1ALDH1A1TSHRLMNAKMT2A
SCHEMBL13671936 0.70 CNR1 (0.85) L3MBTL1KMT2AGAAPKM

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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 L3MBTL1 4729/4885ALDH1A1 3117/4885TSHR 35/4885

“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.