SCHEMBL8005674

SCHEMBL8005674

COc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.61
▸ PTGS2 P35354 6/20 0.61
▸ PTGS1 P23219 4/20 0.61
▸ PGR P06401 2/20 0.53
▸ LTA4H P09960 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ MMP1 P03956 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ AKR1C3 P42330 1/20 0.51
▸ BMP1 P13497 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ PKLR P30613 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL14097069 0.94 PTGS2 (0.65) PKMPTGS2PTGS1
SCHEMBL14097066 0.94 PKM (0.73) PKMPTGS2PTGS1PGRMMP2
SCHEMBL11986371 0.93 PKM (0.70) PKMPTGS2PTGS1CA1CA2
SCHEMBL280156 0.93 PKM (0.70) PKMPTGS2PTGS1CA1CA2
SCHEMBL11547843 0.91 HTT (0.58) PTGS2PTGS1NPC1RAB9A
SCHEMBL7503391 0.87 PTGS2 (0.71) PKMPTGS2PTGS1
SCHEMBL21258439 0.85 PKM (0.59) PKMPTGS2PTGS1CA1CA2
SCHEMBL18069681 0.84 PKM (0.86) PKMPGRLTA4HCA1CA2
SCHEMBL19008825 0.84 PKM (0.86) PKMPGRLTA4HCA1CA2
SCHEMBL8941654 0.84 PTGS2 (0.56) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4349568-A Sulfur-substituted diphenyl ethers having antiviral activity THE DOW CHEMICAL COMPANY (US) 1982-09-14 — — US claimed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 — — US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 — — US disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 — — 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-4505929-A Sulfur-substituted diphenyl ethers having antiviral activity THE DOW CHEMICAL COMPANY (US) 1985-03-19 — — US disclosed
US-4349568-A Sulfur-substituted diphenyl ethers having antiviral activity THE DOW CHEMICAL COMPANY (US) 1982-09-14 — — US 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-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors MMP9, MMP1, MMP13 PKM 3343/4885PTGS2 559/4885PTGS1 427/4885
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 PKM 576/4885PTGS2 35/4885PTGS1 118/4885

“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.

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