SCHEMBL5361089

SCHEMBL5361089

O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[C@@H](c3ccc(O)cc3O)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
MMP2 P08253 2/20 0.50
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
STS P08842 1/20 0.50
DDX3X O00571 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
CA5A P35218 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL5361097 1.00 CA2 (0.50) CA2MMP2CA1MMP1MMP9
SCHEMBL5356218 0.90 KMT2A (0.46) CA2MMP2CA1MMP1MMP9
SCHEMBL5356224 0.90 KMT2A (0.46) CA2MMP2CA1MMP1MMP9
SCHEMBL17526212 0.85 CA2 (0.63) CA2MMP2CA1MMP1MMP9
SCHEMBL5374241 0.84 ALDH1A1 (0.48) STSALDH1A1KMT2ALMNAHTT
SCHEMBL5374245 0.84 ALDH1A1 (0.48) STSALDH1A1KMT2ALMNAHTT
SCHEMBL5374721 0.84 ALDH1A1 (0.48) STSALDH1A1KMT2ALMNAHTT
SCHEMBL5356186 0.83 MEN1 (0.45) MMP2MMP1MMP9STSALDH1A1
SCHEMBL5356191 0.83 MEN1 (0.45) MMP2MMP1MMP9STSALDH1A1
SCHEMBL5360993 0.81 KMT2A (0.51) STSALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US claimed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP claimed
US-20030180236-A1 Resorcinol derivatives PFIZER PRODUCTS, INC. 2003-09-25 US claimed
US-6590105-B2 For skin lightening or depigmentation; works by inhibiting tyrosinase in humans; kits WARNER-LAMBERT COMPANY 2003-07-08 US claimed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 US claimed
US-7282592-B2 Resorcinol derivatives WARNER-LAMBERT COMPANY (US) 2007-10-16 US disclosed
US-20070122367-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2007-05-31 US disclosed
US-7173052-B2 Resorcinol derivatives PFIZER INC. (US) 2007-02-06 US disclosed
US-20050282899-A1 Resorcinol for lightening skin removing color BRADLEY STUART E 2005-12-22 US disclosed
US-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US disclosed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP disclosed
US-20030180236-A1 Resorcinol derivatives PFIZER PRODUCTS, INC. 2003-09-25 US disclosed
US-6590105-B2 For skin lightening or depigmentation; works by inhibiting tyrosinase in humans; kits WARNER-LAMBERT COMPANY 2003-07-08 US disclosed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 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 (4 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-20070122367-A1 RESORCINOL DERIVATIVES LRAT, NQO1, ALDH1A2 CA2 3565/4885MMP2 1694/4885CA1 4874/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 CA2 3565/4885MMP2 1694/4885CA1 4874/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 CA2 3771/4885MMP2 1266/4885CA1 4868/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 CA2 3565/4885MMP2 1694/4885CA1 4874/4885

“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.