SCHEMBL3448175

SCHEMBL3448175

CCOC(=O)/C=C/c1cccc(-c2cnc(Nc3cc(OC)cc(S(C)(=O)=O)c3)nc2S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ZAP70 P43403 1/20 0.40
PTK2 Q05397 1/20 0.38
POLB P06746 1/20 0.38
RIPK2 O43353 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B2 P37059 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL3452005 0.90 THRB (0.46) PTK2RIPK2ALDH1A1LMNAMAPT
SCHEMBL3451566 0.90 RIPK2 (0.41) KDM4EMEN1KMT2APTK2RIPK2
SCHEMBL3452002 0.90 THRB (0.46) PTK2RIPK2ALDH1A1LMNAMAPT
SCHEMBL3452877 0.86 CDK2 (0.40) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL3448178 0.84 PTK2 (0.39) PTK2RIPK2MAPK1
SCHEMBL13311805 0.84 ZAP70 (0.38) KDM4EMEN1KMT2AZAP70RIPK2
SCHEMBL13310377 0.81 P2RX3 (0.38) KDM4EALDH1A1CCNCCDK8MAPT
SCHEMBL3448177 0.79 PTK2 (0.40) PTK2RIPK2MAPK1HDAC3HDAC1
SCHEMBL3449538 0.78 RIPK2 (0.45) PTK2RIPK2NAMPTTHRBHTT
SCHEMBL3449534 0.78 RIPK2 (0.45) PTK2RIPK2NAMPTTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD KDM4E 3882/4885MEN1 859/4885KMT2A 4408/4885

“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.