SCHEMBL342398

SCHEMBL342398

Nc1cc(C(=O)O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 1.00
ALDH1A1 P00352 5/20 1.00
HSD17B10 Q99714 4/20 1.00
CASP1 P29466 2/20 1.00
CASP7 P55210 2/20 1.00
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RECQL P46063 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 2/20 0.44
THRB P10828 2/20 0.44
HPGD P15428 2/20 0.44
TNF P01375 1/20 0.44
HSPD1 P10809 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
KDR P35968 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL11775759 0.98 TDP1 (0.96) TDP1ALDH1A1HSD17B10CASP1CASP7
Ammonia Solution, Strong SCHEMBL11775754 0.98 TDP1 (0.96) TDP1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL9454864 0.85 ALDH1A1 (0.73) TDP1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL15449405 0.84 TDP1 (0.72) TDP1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL17774563 0.83 TDP1 (0.71) TDP1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL8747632 0.82 ALDH1A1 (0.68) TDP1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL5546290 0.81 HSD17B10 (0.68) TDP1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL13214335 0.80 ALDH1A1 (0.67) TDP1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL17774713 0.80 ALDH1A1 (0.64) TDP1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL25282372 0.79 HSD17B10 (0.66) TDP1ALDH1A1HSD17B10CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3973911-A FLUORESCENCE UNIVERSITY OF ILLINOIS FOUNDATION (US) 1976-08-10 US claimed
CN-107012695-B Penetrating fluid for ink jet textile printing, ink jet textile printing method, and ink jet textile printing apparatus 精工爱普生株式会社 2020-08-07 CN disclosed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
EP-2441806-B1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KK (JP) 2017-09-06 EP disclosed
US-9745336-B2 Fluorescent dye compounds, conjugates and uses thereof APPLIED BIOSYSTEMS, LLC (US) 2017-08-29 US disclosed
EP-2463345-B1 Ink composition, recording method using the same and recorded material SEIKO EPSON CORP (JP) 2017-01-18 EP disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP disclosed
EP-0130549-A2 5-Aminosalicylic acid-0-sulfates of physiologically acceptable bases, process for their production and medicines containing them Henning Berlin GmbH Chemie und Pharmawerk (DE) 1985-01-09 EP disclosed
US-4283331-A FIBER-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1981-08-11 US disclosed
US-4159384-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-06-26 US disclosed
US-4123455-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-31 US disclosed
US-4102918-A Anionic phenylcarboxamide complement inhibitors AMERICAN CYANAMID COMPANY (US) 1978-07-25 US disclosed
US-4001205-A WATER-SOLUBLE, FIBER-REACTIVE PHENYLAZODIHYDROXY, METHYL, CYANOPYRIDINE DYESTUFFS CIBA-GEIGY AG (CH) 1977-01-04 US disclosed
US-3973911-A FLUORESCENCE UNIVERSITY OF ILLINOIS FOUNDATION (US) 1976-08-10 US disclosed
US-3973911-A FLUORESCENCE UNIVERSITY OF ILLINOIS FOUNDATION (US) 1976-08-10 US disclosed
US-3956263-A 4-Methyl-2,6-dihydroxy-3-cyanopyridine containing dyestuffs CIBA-GEIGY AG (CH) 1976-05-11 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR TDP1 3636/4885ALDH1A1 440/4885HSD17B10 529/4885

“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.