SCHEMBL3315214

SCHEMBL3315214

COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccc(OC)c3OC)C2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
ALDH1A1 P00352 10/20 0.65
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
MAPT P10636 4/20 0.63
LMNA P02545 4/20 0.59
POLB P06746 3/20 0.59
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
CA2 P00918 3/20 0.51
CA1 P00915 1/20 0.51
ACHE P22303 1/20 0.51
YAP1 P46937 1/20 0.50
TEAD4 Q15561 1/20 0.50

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
SCHEMBL4796899 0.89 ALDH1A1 (0.60) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL23052562 0.88 ALDH1A1 (0.65) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL23052499 0.88 MEN1 (0.74) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL23052455 0.88 ALDH1A1 (0.67) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL23052564 0.88 ALDH1A1 (0.80) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3308582 0.88 KMT2A (0.83) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL23052152 0.87 ALDH1A1 (0.66) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL23052324 0.87 ALDH1A1 (0.66) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL3314479 0.86 MEN1 (0.81) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL3318241 0.85 KDM4E (0.66) KDM4ERAB9ANPC1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 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 (1 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C KDM4E 332/4885RAB9A 2140/4885NPC1 4138/4885

“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.