SCHEMBL158165

SCHEMBL158165

COc1ccc([NH])cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ CASR P41180 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MPL P40238 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL154426 0.85 ALDH1A1 (0.43) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL156539 0.82 KMT2A (0.33) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL1808911 0.82 MPL (0.39) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL1806876 0.81 GSK3B (0.46) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL1805765 0.81 PKM (0.58) SMN1; SMN2ALDH1A1PKML3MBTL1TSHR
SCHEMBL13297310 0.81 GSK3B (0.48) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL157237 0.81 POLB (0.35) GSK3BKMT2AMAPTALDH1A1LMNA
SCHEMBL3496007 0.79 SMN1; SMN2 (0.59) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL1066283 0.79 KMT2A (0.60) SMN1; SMN2KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL1806873 0.79 GSK3B (0.47) GSK3BSMN1; SMN2KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 — — EP claimed
EP-0776947-B1 Fiber-reactive dyestuffs, their preparation and use CIBA SC HOLDING AG (CH) 2000-04-26 — — EP claimed
US-5837827-A Fibre-reactive dyes, their preparation and their use CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-11-17 — — US claimed
EP-0776947-A1 Fiber-reactive dyestuffs, their preparation and use Ciba SC Holding AG (CH) 1997-06-04 — — EP claimed
EP-0697443-A2 Triphendioxazine reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 — — EP claimed
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-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 — — 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-6670457-B2 Use for dyeing or printing textile fibre materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-12-30 — — US disclosed
EP-1061105-B1 Fibre-reactive dyes, process for their preparation and the use thereof CIBA SC HOLDING AG (CH) 2003-06-25 — — EP disclosed
US-20030055230-A1 Reactive dyes, their preparation and use HUNTSMAN INTERNATIONAL LLC 2003-03-20 — — US disclosed
US-5245020-A Reactive dyes with two or three nitrogen-containing haloheterocycles as reactive system BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 — — US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 — — 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
US-5041540-A For dyeing or printing hydroxyl- or nitrogen-containing substrates BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 — — US disclosed
EP-0426618-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1991-05-08 — — EP disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 — — EP disclosed
EP-0372315-A1 Reactive dyes based on copper formazane BASF Aktiengesellschaft (DE) 1990-06-13 — — 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 GSK3B 2703/4885SMN1; SMN2 1683/4885KMT2A 1224/4885

“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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