SCHEMBL13052084

SCHEMBL13052084

CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(N)c2ccc(C(=O)OC)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.54
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER4 P35408 2/20 0.39
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
TYK2 P29597 1/20 0.38
CLK2 P49760 1/20 0.38

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
SCHEMBL14468112 0.93 HPGD (0.46) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL13151803 0.90 HPGD (0.43) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL13151830 0.86 HPGD (0.39) HPGDALDH1A1MAPTLMNAPLK4
SCHEMBL2884492 0.85 HPGD (0.51) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL10097730 0.84 MEN1 (0.41) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13152033 0.84 GRIK2 (0.46) HPGDKDM4EALDH1A1LMNAMEN1
SCHEMBL13152728 0.84 JAK2 (0.41) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL14376745 0.83 PLK4 (0.42) HPGDKDM4EALDH1A1LMNAPTGER4
SCHEMBL10097500 0.82 MAPK14 (0.41) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL13051526 0.82 ALDH1A1 (0.43) HPGDKDM4EALDH1A1MAPTLMNA

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HPGD 3255/4885KDM4E 4020/4885ALDH1A1 1497/4885

“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.