SCHEMBL2944205

SCHEMBL2944205

O=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ LMNA P02545 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NT5E P21589 1/20 0.46
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH5A1 P51649 1/20 0.44
▸ ABAT P80404 1/20 0.44
▸ DRD1 P21728 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL12212935 1.00 TDP1 (0.57) TDP1LMNAMMP1MMP2MMP3
SCHEMBL11337452 0.98 TDP1 (0.55) TDP1LMNAMMP1MMP2MMP3
SCHEMBL226161 0.93 TDP1 (0.64) TDP1LMNAMMP1MMP2MMP3
Water SCHEMBL2368741 0.91 TDP1 (0.61) TDP1LMNAMMP1MMP2MMP3
SCHEMBL2800192 0.91 TDP1 (0.61) TDP1LMNAMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL28303489 0.91 TDP1 (0.61) TDP1LMNAMMP1MMP2MMP3
SCHEMBL7112122 0.84 TDP1 (0.59) TDP1LMNATSHRALDH1A1NT5E
SCHEMBL7112124 0.84 TDP1 (0.59) TDP1LMNATSHRALDH1A1NT5E
SCHEMBL6881761 0.84 TDP1 (0.59) TDP1LMNATSHRALDH1A1NT5E
SCHEMBL6881757 0.84 TDP1 (0.59) TDP1LMNATSHRALDH1A1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 — — US claimed
US-20110250509-A1 SECONDARY BATTERY AND ELECTRONIC DEVICE SONY CORPORATION (JP) 2011-10-13 — — US disclosed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 — — US disclosed
US-20060063823-A1 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 — — US disclosed
US-4301091-A FOR WHITENING AND FOR LASER EMISSION BAYER AKTIENGESELLSCHAFT (DE) 1981-11-17 — — US disclosed
US-4014870-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-03-29 — — US disclosed
US-4013642-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-03-22 — — 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 (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-20060063823-A1 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer PTGIS, MMP15, IL15 TDP1 3026/4885LMNA 727/4885MMP1 201/4885

“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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