SCHEMBL2004907

SCHEMBL2004907

COc1c(C(=O)O)cccc1S(=O)(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALOX15 P16050 1/20 0.45
APEX1 P27695 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FABP4 P15090 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL2005291 0.87 CA1 (0.39) F2PRSS1PRSS2PRSS3ALOX15
SCHEMBL6169371 0.85 F2 (0.48) F2PRSS1PRSS2PRSS3ALOX15
SCHEMBL7284889 0.85 F2 (0.48) F2PRSS1PRSS2PRSS3ALOX15
SCHEMBL11138757 0.82 TRPV4 (0.46) F2PRSS1PRSS2PRSS3ALOX15
SCHEMBL39857 0.80 ALDH1A1 (0.55) ALOX15APEX1ALDH1A1HPGDMAPK1
SCHEMBL2009654 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1KDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL699717 0.78 ALDH1A1 (0.53) ALOX15APEX1ALDH1A1HPGDMAPK1
SCHEMBL1586444 0.77 ALOX15 (0.49) F2PRSS1PRSS2PRSS3ALOX15
SCHEMBL135801 0.76 CA1 (0.60) F2PRSS1PRSS2PRSS3ALOX15
SCHEMBL15313666 0.76 HSD17B10 (0.46) F2PRSS1PRSS2PRSS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654837-B2 Sulphamoylaryl derivatives and use thereof as medicaments for the treatment of liver fibrosis JANSSEN PHARMACEUTICA NV (BE) 2020-05-19 US disclosed
US-20190345145-A1 SULPHAMOYLARYL DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF LIVER FIBROSIS JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2019-11-14 US disclosed
WO-2018145620-A1 SULPHAMOYLARYL DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF LIVER FIBROSIS JANSSEN PHARMACEUTICA NV (BE) 2018-08-16 WO disclosed
EP-1864976-B1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-10-10 EP disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
CN-101142193-B 1, 3-propanedione derivative or salt thereof ASTELLAS PHARMA INC 2010-12-29 CN disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
CN-101142193-A 1, 3-propanedione derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-03-12 CN disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 EP 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-10654837-B2 Sulphamoylaryl derivatives and use thereof as medicaments for the treatment of liver fibrosis HTR2B, HTR3B, HTR1A F2 981/4885PRSS1 239/4885PRSS2 294/4885
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR F2 1765/4885PRSS1 802/4885PRSS2 1576/4885
US-20190345145-A1 SULPHAMOYLARYL DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF LIVER FIBROSIS HTR2B, HTR3B, HTR1A F2 981/4885PRSS1 239/4885PRSS2 294/4885

“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.