SCHEMBL1805293

SCHEMBL1805293

Cc1cc(C)c([NH])c(S(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
RAPGEF4 Q8WZA2 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
BRD4 O60885 2/20 0.33
POLB P06746 2/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL9337835 0.82 LCK (0.36) ALDH1A1GAAMAPTLMNABRD4
SCHEMBL1804023 0.79 KDM4E (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL2884819 0.78 CA1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL7707792 0.77 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL11746428 0.77 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL8365909 0.77 ALDH1A1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL1364945 0.75 KDM4E (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL29633914 0.75 KDM4E (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL2059007 0.75 CA1 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL7132765 0.75 ALDH1A1 (0.44) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149791-A CHLOROTRIAZINE REACTIVE DYES HAVING A 4-METHOXY-2-SULFOANILINE DIAZO COMPONENT AND 2-AMINO-5-NAPHTHOL-7-SULFONIC ACID COUPLING COMPONENT CIBA-GEIGY CORPORATION (US) 1992-09-22 US claimed
EP-0426618-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1991-05-08 EP claimed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-5149791-A CHLOROTRIAZINE REACTIVE DYES HAVING A 4-METHOXY-2-SULFOANILINE DIAZO COMPONENT AND 2-AMINO-5-NAPHTHOL-7-SULFONIC ACID COUPLING COMPONENT CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
EP-0426618-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1991-05-08 EP disclosed
EP-0012341-B1 ANTHRAQUINONE REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS THAT CONTAIN HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1982-09-08 EP disclosed
US-4332938-A Anthaquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
US-4325705-A Anthraquinone reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
EP-0012342-A1 Anthraquinone reactive dyestuffs and their use in dyeing and printing materials that contain hydroxyl groups or amide groups BAYER AG (DE) 1980-06-25 EP disclosed
EP-0012341-A1 Anthraquinone reactive dyestuffs and their use in dyeing materials that contain hydroxyl or amide groups BAYER AG (DE) 1980-06-25 EP 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CA1 798/4885CA2 1279/4885MMP1 472/4885

“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.