SCHEMBL9877386

SCHEMBL9877386

Nc1ccc(N)c(S(=O)(=O)CCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.54
▸ RECQL P46063 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ THRB P10828 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CDC25B P30305 1/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ PKM P14618 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ APEX1 P27695 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ BLM P54132 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
SCHEMBL10605653 0.87 CA2 (0.56) CA2RECQLALDH1A1THRBCYP3A4
SCHEMBL5474330 0.85 CA2 (0.68) CA2RECQLALDH1A1THRBCYP3A4
SCHEMBL9558916 0.84 CA2 (0.61) CA2ALDH1A1CDC25BPKMPOLB
SCHEMBL9357049 0.84 CA2 (0.53) CA2RECQLALDH1A1THRBCYP3A4
SCHEMBL31263607 0.82 CA2 (0.47) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL9498840 0.82 CA2 (0.47) CA2RECQLALDH1A1CYP3A4TSHR
SCHEMBL9357527 0.82 CA2 (0.47) CA2RECQLALDH1A1THRBCYP3A4
SCHEMBL10944737 0.81 CA2 (0.46) CA2RECQLALDH1A1THRBCYP3A4
SCHEMBL9357159 0.80 ALDH1A1 (0.47) CA2RECQLALDH1A1THRBCYP3A4
SCHEMBL8745461 0.80 ALDH1A1 (0.42) CA2RECQLALDH1A1THRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
US-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 — — US disclosed
US-4851527-A Water-soluble triphendioxazine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 — — US disclosed
US-4785098-A BLUE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 — — US disclosed
EP-0171611-B1 SUBSTITUTED PHENYLOXETHYL SULPHONES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 — — EP disclosed
EP-0171611-A1 Substituted phenyloxethyl sulphones and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-19 — — 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-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 CA2 86/4885RECQL 3312/4885ALDH1A1 440/4885

“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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