SCHEMBL4873044

SCHEMBL4873044

COc1cccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCNCC4)ccc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
WNK1 Q9H4A3 1/20 0.38
TP53 P04637 3/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL4874047 0.93 TP53 (0.44) PIK3CAMTORWNK1TP53TSHR
SCHEMBL4877312 0.92 PIK3CA (0.43) PIK3CAMTORWNK1TP53TSHR
SCHEMBL4876213 0.90 GRM5 (0.35) TP53MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4874611 0.89 MKNK2 (0.37) TP53MAPTALDH1A1LMNAMEN1
SCHEMBL4873028 0.89 PIK3CA (0.37) PIK3CAMTORWNK1TP53TSHR
SCHEMBL4877171 0.89 PIK3CA (0.43) PIK3CAMTORWNK1TP53TSHR
SCHEMBL4879108 0.88 ALDH1A1 (0.41) TP53MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4868467 0.88 KDM4E (0.44) TP53MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4874823 0.87 MAPT (0.39) TP53TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL4868356 0.87 MAPT (0.35) PIK3CAMTORWNK1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PIK3CA 1299/4885MTOR 1386/4885WNK1 2667/4885

“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.