SCHEMBL2618024

SCHEMBL2618024

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(C)c(N=Nc3cc(C)ccc3C)c(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PRMT1 Q99873 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ FUT8 Q9BYC5 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 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
SCHEMBL12997324 0.85 ENPP2 (0.46) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL14400292 0.85 PRMT1 (0.52) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL1139743 0.81 ENPP2 (0.56) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL110153 0.81 ENPP2 (0.56) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL185815 0.81 ENPP2 (0.56) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL14400315 0.81 PRMT1 (0.47) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL27732032 0.80 ENPP2 (0.55) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL185813 0.80 ENPP2 (0.55) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL14372037 0.80 ENPP2 (0.40) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL14372000 0.77 ENPP2 (0.35) ENPP2MEN1HTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802829-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-08-12 — — US disclosed
US-8664371-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-03-04 — — US disclosed
US-20120226030-A1 Rinsable Dyes and Methods for their Preparation Spectra Colors Corp. 2012-09-06 — — US disclosed
US-20120101264-A1 Rinsable dyes and methods for their preparation Spectra Colors Corp. 2012-04-26 — — 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 (2 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-20120226030-A1 Rinsable Dyes and Methods for their Preparation ARSA, HNRNPUL1, ALKBH1 ENPP2 4581/4885MEN1 3945/4885HTT 679/4885
US-20120101264-A1 Rinsable dyes and methods for their preparation ARSA, HNRNPUL1, ALKBH1 ENPP2 4581/4885MEN1 3945/4885HTT 679/4885

“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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