SCHEMBL5364634

SCHEMBL5364634

O=S(=O)(NC1CCC(c2ccc(O)cc2O)CC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
STS P08842 4/20 0.49
IDH2 P48735 5/20 0.46
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
DRD2 P14416 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HSD17B2 P37059 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL6595125 1.00 HDAC8 (0.50) HDAC8CA1CA2MMP1MMP2
SCHEMBL5364619 1.00 HDAC8 (0.50) HDAC8CA1CA2MMP1MMP2
SCHEMBL5360426 0.91 HDAC8 (0.40) HDAC8CA1CA2MMP1MMP2
SCHEMBL5360432 0.91 HDAC8 (0.40) HDAC8CA1CA2MMP1MMP2
SCHEMBL5374708 0.91 HDAC8 (0.40) HDAC8CA1CA2MMP1MMP2
SCHEMBL5374245 0.85 ALDH1A1 (0.48) STSHTR1AHTR7DRD2ALDH1A1
SCHEMBL5374721 0.85 ALDH1A1 (0.48) STSHTR1AHTR7DRD2ALDH1A1
SCHEMBL5374241 0.85 ALDH1A1 (0.48) STSHTR1AHTR7DRD2ALDH1A1
SCHEMBL2420848 0.84 CA1 (0.62) HDAC8CA1CA2MMP1MMP2
SCHEMBL5356330 0.82 MCL1 (0.41) STSALDH1A1LMNATSHR

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 HDAC8 1946/4885CA1 4874/4885CA2 3565/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 HDAC8 1946/4885CA1 4874/4885CA2 3565/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 HDAC8 935/4885CA1 4868/4885CA2 3771/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 HDAC8 1946/4885CA1 4874/4885CA2 3565/4885

“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.