SCHEMBL5366806

SCHEMBL5366806

Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](c3ccc(O)cc3O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TSHR P16473 2/20 0.55
CYP3A4 P08684 2/20 0.55
STS P08842 2/20 0.45
CYTH2 Q99418 1/20 0.45
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5359940 1.00 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4STSCYTH2
SCHEMBL5359944 1.00 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4STSCYTH2
SCHEMBL5363218 0.90 KDM4E (0.44) ALDH1A1TSHRCYP3A4KDM4ERECQL
SCHEMBL5363211 0.90 KDM4E (0.44) ALDH1A1TSHRCYP3A4KDM4ERECQL
SCHEMBL5366825 0.88 STS (0.45) ALDH1A1STSKDM4ERECQLSMN1; SMN2
SCHEMBL6599031 0.88 KMT2A (0.48) ALDH1A1STSKDM4ERECQLSMN1; SMN2
SCHEMBL5366823 0.88 STS (0.45) ALDH1A1STSKDM4ERECQLSMN1; SMN2
SCHEMBL5356347 0.88 KMT2A (0.48) ALDH1A1STSKDM4ERECQLSMN1; SMN2
SCHEMBL5356341 0.88 KMT2A (0.48) ALDH1A1STSKDM4ERECQLSMN1; SMN2
SCHEMBL5374241 0.87 ALDH1A1 (0.48) ALDH1A1STSKDM4ERECQLSMN1; 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 16 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
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 90/4885TSHR 3896/4885CYP3A4 262/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885TSHR 3896/4885CYP3A4 262/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 ALDH1A1 164/4885TSHR 4350/4885CYP3A4 160/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885TSHR 3896/4885CYP3A4 262/4885

“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.