SCHEMBL5443121

SCHEMBL5443121

O=S(=O)(Cl)c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.71
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
CA7 P43166 3/20 0.71
CA9 Q16790 3/20 0.71
MAOB P27338 7/20 0.57
APP P05067 1/20 0.57
PTPRZ1 P23471 1/20 0.57
AR P10275 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP14 P50281 1/20 0.56
ADAM17 P78536 1/20 0.56
NR4A2 P43354 1/20 0.55
PARP10 Q53GL7 1/20 0.54
RORC P51449 1/20 0.50
ADAMTS4 O75173 1/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49

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
SCHEMBL6239662 0.85 ADAM17 (0.56) CA12CA1CA2CA7CA9
SCHEMBL5444737 0.85 MAOB (0.59) CA12CA1CA2CA7CA9
SCHEMBL6949459 0.83 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL926213 0.83 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL19951287 0.83 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL6949461 0.82 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL27550091 0.82 MAOB (0.80) CA12CA1CA2CA7CA9
SCHEMBL20326570 0.81 MAOB (0.57) CA12CA1CA2CA7CA9
SCHEMBL9425615 0.78 PTPRZ1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL282256 0.78 SOS1 (0.66) CA12CA1CA2CA9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US disclosed
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
EP-1503989-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-09 EP disclosed
WO-2003095428-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-11-20 WO disclosed
WO-2000073295-A1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 2000-12-07 WO disclosed
WO-2000073294-A2 3-(ARYLSULFONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 2000-12-07 WO disclosed
US-6087392-A A METALLOPROTEINASE INHIBITORS FOR INHIBITING MAMMALIAN REPROLYSIN PFIZER INC. (US) 2000-07-11 US disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
EP-0977733-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES Pfizer Products Inc. (US) 2000-02-09 EP disclosed
EP-0960098-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-12-01 EP disclosed
WO-1999052889-A1 (4-ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-4-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 1999-10-21 WO disclosed
WO-1998034918-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-08-13 WO disclosed
WO-1998033768-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-08-06 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 (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-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 CA12 1679/4885CA1 641/4885CA2 2589/4885
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS MMP9, MMP2, MMP3 CA12 1505/4885CA1 438/4885CA2 106/4885
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents SIGMAR1, CHRM1, OPRM1 CA12 2512/4885CA1 911/4885CA2 1482/4885

“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.