SCHEMBL5355689

SCHEMBL5355689

O=S(=O)(NC1CCC(c2ccc(O)cc2O)CC1)c1cc(F)c(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
DPP4 P27487 7/20 0.39
KCNH2 Q12809 4/20 0.39
DPP7 Q9UHL4 4/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
WDR5 P61964 1/20 0.36
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5355687 1.00 HSD17B1 (0.41) HSD17B1HSD17B2DPP4KCNH2DPP7
SCHEMBL5366944 0.86 DPP4 (0.49) DPP4KCNH2DPP7DPP8DPP9
SCHEMBL5366940 0.86 DPP4 (0.49) DPP4KCNH2DPP7DPP8DPP9
SCHEMBL6598747 0.84 HTR1A (0.44) DPP4KCNH2DPP7DPP8DPP9
SCHEMBL3023482 0.82 KMT2A (0.49) DPP4KCNH2DPP7DPP8DPP9
SCHEMBL5359472 0.79 KMT2A (0.40) LMNAKMT2ATDP1WDR5DRD2
SCHEMBL5359477 0.79 KMT2A (0.40) LMNAKMT2ATDP1WDR5DRD2
SCHEMBL5356347 0.78 KMT2A (0.48) LMNAKMT2ATDP1DRD2
SCHEMBL5356341 0.78 KMT2A (0.48) LMNAKMT2ATDP1DRD2
SCHEMBL6599031 0.78 KMT2A (0.48) LMNAKMT2ATDP1DRD2

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 13 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-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 HSD17B1 668/4885HSD17B2 762/4885DPP4 1407/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 HSD17B1 668/4885HSD17B2 762/4885DPP4 1407/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 HSD17B1 669/4885HSD17B2 751/4885DPP4 639/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 HSD17B1 668/4885HSD17B2 762/4885DPP4 1407/4885

“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.