SCHEMBL426472

SCHEMBL426472

O=[C]NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
MMP1 P03956 1/20 0.64
MMP2 P08253 1/20 0.64
MMP9 P14780 1/20 0.64
MMP8 P22894 1/20 0.64
MMP13 P45452 1/20 0.64
KMT2A Q03164 1/20 0.49
FAAH O00519 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
ELANE P08246 1/20 0.48
PRTN3 P24158 1/20 0.48
PRSS3 P35030 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
HPGD P15428 2/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47

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
SCHEMBL3250847 0.82 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL7778055 0.82 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL426660 0.80 IDO1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL10656290 0.78 CA1 (1.00) CA1CA2MMP1MMP2MMP9
SCHEMBL6492175 0.78 CA1 (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL8647286 0.78 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL9570449 0.77 CA2 (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL7200212 0.77 CA2 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL21763639 0.76 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL465380 0.76 CA1 (0.65) CA1CA2MMP1MMP2MMP9

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 263 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US claimed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US claimed
US-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-22 US claimed
EP-1517687-B1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA (DE) 2007-06-20 EP claimed
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US claimed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US claimed
US-6936610-B2 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2005-08-30 US claimed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP claimed
EP-1528061-A1 Heterocyclic derivatives which inhibit factor Xa AstraZeneca AB (SE) 2005-05-04 EP claimed
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US claimed
EP-1082303-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP claimed
WO-1999057113-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 WO claimed
WO-1999057099-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 WO claimed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 EP claimed
EP-0880502-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1998-12-02 EP claimed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 WO claimed
WO-1997028129-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-08-07 WO claimed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP claimed
EP-0335315-B1 New alkanephenones CIBA GEIGY AG (CH) 1994-06-22 EP claimed
EP-0529253-A1 Phenylalkylderivatives, compounds containing them and process for their fabrication Dr. Karl Thomae GmbH (DE) 1993-03-03 EP claimed

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-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME IL5, TSLP, TLR5 CA1 4687/4885CA2 2490/4885MMP1 2795/4885
US-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 CA1 2409/4885CA2 1546/4885MMP1 1182/4885
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 CA1 3986/4885CA2 1240/4885MMP1 2460/4885

“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.