SCHEMBL4033097

SCHEMBL4033097

Cc1cc(=O)n(-c2ccc(S(=O)(=O)CCO)cc2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ MAPT P10636 6/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ GAA P10253 3/20 0.57
▸ HTT P42858 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ LMNA P02545 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ CA2 P00918 4/20 0.44
▸ POLB P06746 1/20 0.40
▸ ALKBH5 Q6P6C2 4/20 0.38
▸ KDM5A P29375 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL27752106 1.00 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11645241 0.89 MAPT (0.60) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL9619302 0.81 ALKBH5 (0.58) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL395368 0.81 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL7247608 0.79 MAPT (0.63) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11218444 0.78 CA2 (0.39) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL9018938 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL7246252 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL4033095 0.76 MAPT (0.59) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL8418696 0.76 MAPT (0.59) ALDH1A1MAPTKMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334076-A Process for the preparation of sulfuric acid semiester ethylsulfonyl compounds of aminophenols, aminobenzanilides or phenylpyrazolones by esterification with sulfuric acid and/or sulfur trioxide in a kneader HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 — — US claimed
US-7513943-B2 Yellow dye compound and ink composition comprising the same EVERLIGHT USA, INC. (US) 2009-04-07 — — US disclosed
US-20090056586-A1 Yellow dye compound and ink composition comprising the same EVERLIGHT USA, INC. (US) 2009-03-05 — — US disclosed
EP-0717083-B1 Phthalocyanine monoazo compounds and a process for producing the same SUMITOMO CHEMICAL CO (JP) 1998-09-02 — — EP disclosed
CN-1130199-A Phthalocyanine monoazo compound and its preparing method SUMITOMO CHEMICAL CO (JP) 1996-09-04 — — CN disclosed
EP-0717083-A1 Phthalocyanine monoazo compounds and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-19 — — EP disclosed
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 — — US disclosed
EP-0107016-A2 Process for printing textile material HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-02 — — EP disclosed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 — — US disclosed
US-4334076-A Process for the preparation of sulfuric acid semiester ethylsulfonyl compounds of aminophenols, aminobenzanilides or phenylpyrazolones by esterification with sulfuric acid and/or sulfur trioxide in a kneader HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-08 — — US disclosed
EP-0035957-A2 Process for the preparation of hemiesters of sulfuric acid HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-16 — — EP disclosed
US-4014865-A Golden-yellow fiber-reactive water-soluble monoazo dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-29 — — 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-20090056586-A1 Yellow dye compound and ink composition comprising the same RB1, TYR, IK ALDH1A1 551/4885MAPT 565/4885KMT2A 1041/4885

“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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