SCHEMBL13404356

SCHEMBL13404356

Cc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
CNR1 P21554 3/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LOX P28300 1/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 1/20 0.47
PKM P14618 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL13404363 0.98 ALDH1A1 (0.58) ALDH1A1CNR1MEN1KMT2AL3MBTL1
SCHEMBL13404373 0.85 TSHR (0.51) ALDH1A1CNR1KMT2AL3MBTL1TSHR
SCHEMBL19259699 0.80 CNR1 (0.59) ALDH1A1CNR1MEN1KMT2AL3MBTL1
SCHEMBL19259615 0.80 LOX (0.51) ALDH1A1CNR1MEN1KMT2AL3MBTL1
SCHEMBL12335127 0.80 LOX (0.54) ALDH1A1CNR1MEN1KMT2AL3MBTL1
SCHEMBL13743077 0.78 L3MBTL1 (0.58) ALDH1A1CNR1MEN1KMT2AL3MBTL1
SCHEMBL13742871 0.78 GAA (0.65) ALDH1A1TSHRGAALMNASMN1; SMN2
SCHEMBL5366600 0.78 MAPT (0.58) ALDH1A1CNR1L3MBTL1LOXTSHR
SCHEMBL13742881 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRGAALMNA
SCHEMBL13404368 0.77 L3MBTL1 (0.62) ALDH1A1KMT2AL3MBTL1TSHRGAA

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 ALDH1A1 3117/4885CNR1 77/4885MEN1 2925/4885

“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.