SCHEMBL4480464

SCHEMBL4480464

CCc1ccc(S(=O)(=O)N2CCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
PKM P14618 2/20 0.62
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
USP2 O75604 2/20 0.62
HSD11B1 P28845 2/20 0.60
THRB P10828 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL12646347 0.96 USP2 (0.68) ALDH1A1PKMPOLBHTTUSP2
SCHEMBL12189227 0.95 USP2 (0.71) ALDH1A1HTTUSP2HSD11B1THRB
SCHEMBL12189230 0.86 SMN1; SMN2 (0.78) ALDH1A1POLBHTTUSP2THRB
SCHEMBL1954250 0.85 ALDH1A1 (0.56) ALDH1A1PKMPOLBHTTUSP2
SCHEMBL12075773 0.84 MAPT (0.63) ALDH1A1PKMUSP2HSD11B1THRB
SCHEMBL16111102 0.84 KMT2A (0.63) ALDH1A1USP2HSD11B1THRBL3MBTL1
SCHEMBL7904262 0.84 ALDH1A1 (0.70) ALDH1A1POLBUSP2L3MBTL1MEN1
SCHEMBL15010487 0.82 USP2 (0.63) ALDH1A1PKMPOLBHTTUSP2
SCHEMBL12189232 0.82 ALDH1A1 (0.72) ALDH1A1HTTUSP2HSD11B1THRB
SCHEMBL22217089 0.81 USP2 (0.62) ALDH1A1PKMPOLBHTTUSP2

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-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK ALDH1A1 780/4885PKM 590/4885POLB 2890/4885

“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.