SCHEMBL16106552

SCHEMBL16106552

O=C(O)N(Cc1ccccc1)S(=O)(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CA2 P00918 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SERPINE1 P05121 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CHRM5 P08912 1/20 0.39
MAPT P10636 1/20 0.39
CTSD P07339 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL6886327 0.82 HSD11B1 (0.40) HSD11B1MEN1KMT2ACA2TAS2R14
SCHEMBL6886321 0.82 HSD11B1 (0.40) HSD11B1MEN1KMT2ACA2TAS2R14
SCHEMBL3837494 0.75 CA2 (0.53) CA2CHRM5ALDH1A1RORC
SCHEMBL22282688 0.74 HSD11B1 (0.53) HSD11B1MEN1KMT2ACA2TAS2R14
SCHEMBL4273616 0.74 CA2 (0.62) HSD11B1MEN1KMT2ACA2TAS2R14
SCHEMBL6050974 0.74 HSD11B1 (0.33) HSD11B1MEN1KMT2ACA2TAS2R14
SCHEMBL3812813 0.73 RORC (0.45) MEN1KMT2ACA2POLBMAPK1
SCHEMBL964699 0.73 GBA1 (0.50) HSD11B1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4786638 0.72 CA2 (0.42) MEN1KMT2ACA2TAS2R14POLB
SCHEMBL963729 0.72 NPSR1 (0.54) MEN1KMT2APOLBMAPK1SMN1; SMN2

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-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 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-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC HSD11B1 1201/4885MEN1 4761/4885KMT2A 3629/4885

“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.