SCHEMBL3560549

SCHEMBL3560549

COc1ccc2[nH]c(C(S)c3ccc4oc(C(=O)O)cc4c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.41
TAS1R1 Q7RTX1 7/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
HPGD P15428 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
PIM1 P11309 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
SCHEMBL1065417 0.81 MLKL (0.47) TP53ALDH1A1KDM4ECA1CA2
SCHEMBL1063186 0.80 ALDH1A1 (0.43) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL3560550 0.74 CYP2E1 (0.58) LMNATP53MEN1CYP1A2CYP2C19
SCHEMBL29527237 0.74 KDM4E (0.66) TAS1R3TAS1R1LMNATP53ALDH1A1
SCHEMBL335319 0.74 KDM4E (0.66) TAS1R3TAS1R1LMNATP53ALDH1A1
Hydrochloric Acid SCHEMBL11498190 0.73 KDM4E (0.64) TAS1R3TAS1R1LMNATP53ALDH1A1
SCHEMBL5583239 0.72 PIM1 (0.44) TAS1R3TAS1R1LMNATP53ALDH1A1
Methylene Chloride SCHEMBL28849518 0.71 LMNA (0.62) TAS1R3TAS1R1LMNATP53ALDH1A1
SCHEMBL1065500 0.70 HDAC1 (0.55) MEN1KMT2A
SCHEMBL1066308 0.69 HDAC1 (0.42) TP53ALDH1A1MEN1CYP1A2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US claimed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 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 (2 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 TAS1R3 4523/4885TAS1R1 4521/4885PDGFRB 3133/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 TAS1R3 4523/4885TAS1R1 4521/4885PDGFRB 3133/4885

“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.