SCHEMBL5356508

SCHEMBL5356508

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 3/20 0.51
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP2C19 P33261 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CSNK2A1 P68400 1/20 0.42
MEP1B Q16820 2/20 0.42
AKR1C3 P42330 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
PTK2B Q14289 1/20 0.41
MAPT P10636 1/20 0.41
SFRP1 Q8N474 1/20 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
SCHEMBL5356514 1.00 ALDH1A1 (0.57) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL5364654 1.00 ALDH1A1 (0.57) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL5365395 0.88 CYP1A2 (0.46) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL5374184 0.88 CYP1A2 (0.46) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL5365390 0.88 CYP1A2 (0.46) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL5374721 0.88 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL5374245 0.88 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL5374241 0.88 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AKDM4E
SCHEMBL5366559 0.88 ALDH1A1 (0.57) ALDH1A1LMNAKMT2ACA1CA2
SCHEMBL5363200 0.88 ALDH1A1 (0.57) ALDH1A1LMNAKMT2ACA1CA2

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 ALDH1A1 90/4885LMNA 1644/4885KMT2A 2259/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885LMNA 1644/4885KMT2A 2259/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 ALDH1A1 164/4885LMNA 613/4885KMT2A 771/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885LMNA 1644/4885KMT2A 2259/4885

“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.