SCHEMBL9811333

SCHEMBL9811333

Cc1cc(N)c(S(=O)(=O)CCO)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.53
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 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
SCHEMBL9179611 0.93 CA2 (0.53) CA2CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL10891043 0.89 CA2 (0.53) CA2CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL10686038 0.89 CA2 (0.49) CA2CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL10684114 0.82 CA2 (0.43) CA2TSHRCYP1A2CA1
SCHEMBL9811390 0.80 CYP3A4 (0.35) CA2CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL9498351 0.79 PKM (0.45) CA2TSHRALDH1A1CA1L3MBTL1
SCHEMBL17779178 0.78 PKM (0.51) CA2TSHRMAPK1ALDH1A1ALOX15
SCHEMBL9496302 0.78 CA2 (0.45) CA2CYP3A4TSHRALDH1A1ALOX15
SCHEMBL8285549 0.77 CA2 (0.64) CA2CYP3A4ALDH1A1ALOX15HSD17B10
SCHEMBL9150135 0.76 PKM (0.49) CA2CYP3A4ALDH1A1CA1L3MBTL1

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 8 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
EP-0286021-B1 REACTIVE AZO DYES BASF Aktiengesellschaft (DE) 1991-06-26 — — EP disclosed
US-4897469-A Aniline series azo reactive dyes ortho- or para-substituted by vinyl sulfonyl reactive groups BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 — — US disclosed
EP-0286021-A2 Reactive azo dyes BASF Aktiengesellschaft (DE) 1988-10-12 — — EP disclosed
US-4649193-A COTTON, WOOL, POLYAMIDES; COLOR-AND WASH FASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-10 — — 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 CA2 86/4885CYP3A4 844/4885TSHR 3932/4885

“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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