SCHEMBL5366559

SCHEMBL5366559

COC(=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 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.57
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.46
USP2 O75604 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
MEN1 O00255 1/20 0.41
ACLY P53396 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
EGFR P00533 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 2/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL5363196 1.00 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AKDM4EUSP2
SCHEMBL5363200 1.00 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AKDM4EUSP2
SCHEMBL5359439 0.89 KMT2A (0.45) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL5359445 0.89 KMT2A (0.45) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL5367570 0.89 KMT2A (0.45) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL5364654 0.88 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AKDM4ECA1
SCHEMBL5356508 0.88 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AKDM4ECA1
SCHEMBL5356514 0.88 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AKDM4ECA1
SCHEMBL28257095 0.86 ALDH1A1 (0.74) ALDH1A1LMNAKMT2AKDM4EUSP2
SCHEMBL5374241 0.83 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AKDM4ESMN1; SMN2

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 17 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
EP-1317425-A2 RESORCINOL DERIVATIVES Pfizer Products Inc. (US) 2003-06-11 EP claimed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 US claimed
WO-2002020474-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-03-14 WO 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
EP-1317425-A2 RESORCINOL DERIVATIVES Pfizer Products Inc. (US) 2003-06-11 EP disclosed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 US disclosed
WO-2002020474-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-03-14 WO 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.