SCHEMBL7512941

SCHEMBL7512941

CS(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.55
MMP1 P03956 3/20 0.49
HTT P42858 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MELK Q14680 1/20 0.44
MMP13 P45452 2/20 0.44
MMP9 P14780 1/20 0.44
ENPP2 Q13822 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MMP2 P08253 1/20 0.43
NFE2L2 Q16236 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL11547843 0.87 HTT (0.58) PTGS2HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL3913682 0.82 HTT (0.48) PTGS2HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL1656016 0.82 MMP1 (0.50) PTGS2MMP1HTTLMNASMN1; SMN2
SCHEMBL8941654 0.81 PTGS2 (0.56) PTGS2HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL2377128 0.80 ENPP2 (0.50) PTGS2SMN1; SMN2ALDH1A1MELKENPP2
Hydrochloric Acid SCHEMBL4027206 0.80 MMP1 (0.49) PTGS2MMP1HTTLMNASMN1; SMN2
SCHEMBL6338957 0.80 MMP1 (0.53) MMP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL7008902 0.79 SMN1; SMN2 (0.79) MMP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL7359540 0.79 SOS1 (0.64) PTGS2MMP1HTTLMNASMN1; SMN2
SCHEMBL13814624 0.79 HTT (0.63) PTGS2HTTLMNASMN1; SMN2ALDH1A1

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
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 EP disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
EP-1001930-B1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-12-04 EP disclosed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed
EP-1001930-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 2000-05-24 EP disclosed
WO-1999006361-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1999-02-11 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 (2 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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 PTGS2 199/4885MMP1 1/4885HTT 2228/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 PTGS2 882/4885MMP1 400/4885HTT 36/4885

“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.