SCHEMBL10097500

SCHEMBL10097500

CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(N)c2ccc(C(=O)NCC3CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 2/20 0.39
HTR4 Q13639 1/20 0.38
HSPB1 P04792 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK11 Q15759 1/20 0.38
ACSS2 Q9NR19 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL10096670 0.87 MAPK14 (0.41) MAPK14KDM4EALDH1A1HPGDTHRB
SCHEMBL13151803 0.84 HPGD (0.43) KDM4EALDH1A1HPGDSMN1; SMN2CYP2C9
SCHEMBL13052084 0.82 HPGD (0.54) KDM4EALDH1A1HPGDRORCACSS2
SCHEMBL10097730 0.81 MEN1 (0.41) ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL13151830 0.81 HPGD (0.39) ALDH1A1HPGD
SCHEMBL13198721 0.80 TSHR (0.43) MAPK14KDM4EALDH1A1HPGDTHRB
SCHEMBL13051526 0.79 ALDH1A1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL13152728 0.79 JAK2 (0.41) KDM4EALDH1A1HPGDTHRBSMN1; SMN2
SCHEMBL14376745 0.78 PLK4 (0.42) KDM4EALDH1A1HPGD
SCHEMBL14468112 0.76 HPGD (0.46) KDM4EALDH1A1HPGDMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
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 (2 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 MAPK14 4249/4885KDM4E 4020/4885ALDH1A1 1497/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPK14 3075/4885KDM4E 4208/4885ALDH1A1 1067/4885

“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.