SCHEMBL17779171

SCHEMBL17779171

CC(=O)Nc1ccc2c(N)c(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.48
▸ PHLPP2 Q6ZVD8 1/20 0.47
▸ NT5E P21589 2/20 0.47
▸ CA2 P00918 4/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ PRMT1 Q99873 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PRMT3 O60678 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ TNNI3 P19429 1/20 0.42
▸ TNNT2 P45379 1/20 0.42
▸ TNNC1 P63316 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ PKM P14618 2/20 0.41

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
SCHEMBL17779172 0.96 ENPP2 (0.49) ENPP2PHLPP2NT5ECA2CA1
SCHEMBL9464241 0.89 NT5E (0.53) ENPP2PHLPP2NT5ECA2CA1
SCHEMBL19788675 0.84 PHLPP2 (0.38) ENPP2PHLPP2NT5ECA2CA1
SCHEMBL28306586 0.82 NT5E (0.44) NT5ECA2CA1CA9CA12
SCHEMBL14495157 0.81 ENPP2 (0.48) ENPP2PHLPP2NT5ECA2CA1
SCHEMBL28335505 0.78 ENPP2 (0.50) ENPP2PHLPP2CA2CA1CA9
SCHEMBL10825025 0.78 ENPP2 (0.50) ENPP2PHLPP2CA2CA1CA9
SCHEMBL8153748 0.77 ENPP2 (0.48) ENPP2PHLPP2CA2CA1CA9
SCHEMBL17774607 0.77 NT5E (0.47) NT5EALDH1A1CASP6GAACYP2C19
SCHEMBL1891262 0.76 MPL (0.57) NT5EALDH1A1EP300HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ENPP2 3994/4885PHLPP2 4259/4885NT5E 3046/4885

“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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