SCHEMBL13404359

SCHEMBL13404359

CCN(C)S(=O)(=O)c1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.42
S1PR1 P21453 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SERPINE1 P05121 2/20 0.38
VCAM1 P19320 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
XBP1 P17861 1/20 0.34
PAX8 Q06710 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34

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
SCHEMBL13404365 0.86 HTT (0.46) HDAC8S1PR1L3MBTL1HTTSMN1; SMN2
SCHEMBL13404377 0.85 PSEN1 (0.41) HDAC8S1PR1L3MBTL1SERPINE1HDAC6
SCHEMBL13404441 0.83 TRPV4 (0.42) HDAC8S1PR1L3MBTL1SERPINE1HDAC6
SCHEMBL2055347 0.83 VCAM1 (0.45) VCAM1HTTSMN1; SMN2LMNAMAPT
SCHEMBL13404370 0.80 KMT2A (0.45) HDAC8L3MBTL1SERPINE1HDAC6PSEN1
SCHEMBL13404351 0.78 PTGDR2 (0.40) HDAC8BCHEACHE
SCHEMBL28141663 0.77 HTR2A (0.50) VCAM1HTTSMN1; SMN2NPSR1LMNA
SCHEMBL10069243 0.74 NOTUM (0.41) GPBAR1
SCHEMBL13404431 0.74 CYP3A4 (0.40) HDAC8SERPINE1LMNAPSEN1PSEN2
SCHEMBL24513977 0.73 EPAS1 (0.41) HTTSMN1; SMN2LMNAMAPTPSEN1

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 HDAC8 1910/4885S1PR1 423/4885L3MBTL1 4729/4885

“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.