SCHEMBL3314967

SCHEMBL3314967

COc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
RAB9A P51151 8/20 1.00
KDM4E B2RXH2 8/20 1.00
NPC1 O15118 7/20 1.00
KMT2A Q03164 6/20 0.75
MEN1 O00255 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
PKM P14618 2/20 0.69
GAA P10253 1/20 0.68
LMNA P02545 5/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
MAPT P10636 2/20 0.64
RCE1 Q9Y256 1/20 0.64
POLB P06746 2/20 0.52

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
SCHEMBL10016497 0.82 PKM (1.00) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL3311094 0.79 RAB9A (0.83) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL3319198 0.79 RAB9A (1.00) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL3315221 0.79 RAB9A (0.78) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL3315214 0.79 KDM4E (0.66) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL3318241 0.79 KDM4E (0.66) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL3315128 0.77 RAB9A (0.78) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL3314787 0.76 KDM4E (0.61) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL20988942 0.75 KMT2A (0.76) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL3311016 0.75 KDM4E (1.00) ALDH1A1RAB9AKDM4ENPC1KMT2A

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 2 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

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 ALDH1A1 576/4885RAB9A 2140/4885KDM4E 332/4885

“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.