SCHEMBL4197220

SCHEMBL4197220

O=S(=O)([CH]F)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.64
PRSS2 P07478 2/20 0.64
PRSS3 P35030 2/20 0.64
FAAH O00519 1/20 0.64
ELANE P08246 1/20 0.64
PRTN3 P24158 1/20 0.64
CA2 P00918 3/20 0.52
CA1 P00915 2/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.42
F2 P00734 1/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 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
SCHEMBL7119214 0.79 CA2 (0.54) PRSS1PRSS2PRSS3FAAHELANE
Phenylmethylsulfonylfluoride SCHEMBL3965163 0.78 PRSS1 (1.00) PRSS1PRSS2PRSS3FAAHELANE
Phenylmethylsulfonylfluoride SCHEMBL24938 0.78 PRSS1 (1.00) PRSS1PRSS2PRSS3FAAHELANE
SCHEMBL10689743 0.77 CA2 (0.52) PRSS1PRSS2PRSS3FAAHELANE
SCHEMBL1879853 0.77 CA2 (0.52) PRSS1PRSS2PRSS3FAAHELANE
SCHEMBL2689672 0.77 CA2 (0.52) PRSS1PRSS2PRSS3FAAHELANE
SCHEMBL5730036 0.77 PRSS1 (0.52) PRSS1PRSS2PRSS3FAAHELANE
SCHEMBL5966767 0.77 CA2 (0.47) PRSS1PRSS2PRSS3FAAHELANE
Phenylmethylsulfonylfluoride SCHEMBL4869292 0.76 PRSS1 (0.95) PRSS1PRSS2PRSS3FAAHELANE
Phenylmethylsulfonylfluoride SCHEMBL11616357 0.76 PRSS1 (0.95) PRSS1PRSS2PRSS3FAAHELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796675-A4 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO INC (US) 2009-03-04 EP disclosed
US-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
EP-1796675-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2006039252-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO., INC. (US) 2006-04-13 WO disclosed
US-6127388-A Azetidine, pyrrolidine and piperidine derivatives as 5-HT1D receptor agonists MERCK SHARP & DOHME LTD. (GB) 2000-10-03 US disclosed
US-5998440-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARPE & DOHME LTD. (GB) 1999-12-07 US disclosed
EP-0906308-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
EP-0861244-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997045426-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-04 WO disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1997018201-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 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-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases CXCL12, CXCR4, CX3CR1 PRSS1 3823/4885PRSS2 4039/4885PRSS3 3343/4885

“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.