SCHEMBL5363005

SCHEMBL5363005

O=S(=O)(NC1CCC(c2ccc(O)cc2O)CC1)c1ccc(F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IDH2 P48735 1/20 0.46
MAPT P10636 5/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL5363002 1.00 KMT2A (0.52) KMT2ATDP1IDH2MAPTTP53
SCHEMBL7195977 0.97 KMT2A (0.49) KMT2ATDP1IDH2MAPTTP53
SCHEMBL7195979 0.97 KMT2A (0.49) KMT2ATDP1IDH2MAPTTP53
SCHEMBL5366825 0.87 STS (0.45) KMT2ATDP1MAPTTP53POLB
SCHEMBL5366823 0.87 STS (0.45) KMT2ATDP1MAPTTP53POLB
SCHEMBL5374719 0.87 CA1 (0.42) KMT2ATDP1MAPTTP53LMNA
SCHEMBL5374726 0.87 CA1 (0.42) KMT2ATDP1MAPTTP53LMNA
SCHEMBL5371190 0.85 KMT2A (0.42) KMT2ATDP1IDH2MAPTTP53
SCHEMBL5371185 0.85 KMT2A (0.42) KMT2ATDP1IDH2MAPTTP53
SCHEMBL6599031 0.85 KMT2A (0.48) KMT2ATDP1IDH2LMNAALDH1A1

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 KMT2A 2259/4885TDP1 3111/4885IDH2 2192/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 KMT2A 2259/4885TDP1 3111/4885IDH2 2192/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 KMT2A 771/4885TDP1 3548/4885IDH2 2442/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 KMT2A 2259/4885TDP1 3111/4885IDH2 2192/4885

“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.