SCHEMBL4905942

SCHEMBL4905942

CCN(c1nc2cc(C(F)(F)F)ccc2s1)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
NCS1 P62166 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RORC P51449 3/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
ALOX5 P09917 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
AGPAT2 O15120 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4897647 0.90 LMNA (0.41) DYRK1ANCS1HDAC8HDAC3HDAC11
SCHEMBL4902640 0.85 MEN1 (0.46) ALDH1A1TSHRMAPTMEN1NPC1
SCHEMBL4905533 0.78 KDM4E (0.42) HDAC8HDAC3HDAC11HDAC6RORC
SCHEMBL4905922 0.78 TRPV1 (0.49) DYRK1ANCS1ALDH1A1ALOX5TRPV1
SCHEMBL4894519 0.78 HDAC8 (0.52) HDAC8HDAC3HDAC11HDAC6RORC
SCHEMBL4906725 0.78 RORC (0.59) HDAC8HDAC3HDAC11HDAC6RORC
SCHEMBL4902609 0.77 TP53 (0.43) HDAC8HDAC3HDAC11HDAC6RORC
SCHEMBL4906502 0.76 HDAC8 (0.50) HDAC8HDAC3HDAC11HDAC6RORC
SCHEMBL4895889 0.75 NPC1 (0.47) DYRK1AALDH1A1TSHRTP53MAPT
SCHEMBL14423962 0.75 TRPV1 (0.52) RORCALDH1A1TRPV1MAPTAGPAT2

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-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 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-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD DYRK1A 3237/4885NCS1 4555/4885HDAC8 882/4885

“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.