SCHEMBL8170318

SCHEMBL8170318

N=C(N)c1ccc(S(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TMPRSS6 Q8IU80 2/20 0.54
MAPT P10636 2/20 0.50
F2 P00734 4/20 0.48
F10 P00742 2/20 0.48
F12 P00748 1/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
PKM P14618 1/20 0.48
PRSS1 P07477 4/20 0.47
PRSS2 P07478 4/20 0.47
PRSS3 P35030 4/20 0.47
C1S P09871 3/20 0.47
PLG P00747 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
WDR5 P61964 1/20 0.47
BLM P54132 1/20 0.47
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8556017 0.93 TSHR (0.58) TSHRHSD17B10TMPRSS6MAPTF2
SCHEMBL20853419 0.85 TSHR (0.75) TSHRHSD17B10MAPTF2PRSS1
SCHEMBL8554901 0.84 MAPT (0.54) TSHRHSD17B10MAPTF2F10
SCHEMBL7427012 0.84 TMPRSS6 (0.51) TSHRHSD17B10TMPRSS6F2F10
Phenylmethanesulfonic Acid SCHEMBL7148383 0.83 F2 (0.52) TSHRHSD17B10TMPRSS6F2F10
SCHEMBL8556051 0.83 PRSS1 (0.59) TSHRHSD17B10F2F10F12
SCHEMBL11827401 0.81 TSHR (1.00) TSHRHSD17B10MAPTKMT2ACA1
SCHEMBL11759551 0.79 TSHR (0.71) TSHRHSD17B10MAPTCA1CA2
Phenylmethylsulfonylfluoride SCHEMBL3497005 0.78 PRSS1 (0.66) TMPRSS6F2F10F12F7
SCHEMBL2981657 0.78 TSHR (0.75) TSHRHSD17B10MAPTKMT2ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 WO disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 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 (3 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-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B TSHR 2069/4885HSD17B10 3503/4885TMPRSS6 2868/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B TSHR 2069/4885HSD17B10 3503/4885TMPRSS6 2868/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A TSHR 1494/4885HSD17B10 3686/4885TMPRSS6 3204/4885

“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.