SCHEMBL10189439

SCHEMBL10189439

COc1ccc(-c2csnc2-c2cc(C)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
LTB4R Q15722 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL10189441 0.95 EGFR (0.41) NPSR1LTB4RTSHRCYP2C9KMT2A
SCHEMBL617921 0.94 HDAC3 (0.41) NPSR1LTB4RTSHRMAPTKMT2A
SCHEMBL617922 0.94 HDAC3 (0.41) NPSR1LTB4RTSHRMAPTKMT2A
SCHEMBL10189445 0.92 NPSR1 (0.47) NPSR1LTB4RTSHRCYP2C9MAPT
SCHEMBL10189442 0.91 NPSR1 (0.41) NPSR1LTB4RTSHRMAPTGAA
SCHEMBL616752 0.89 EGFR (0.43) NPSR1LTB4RTSHRCYP2C9KMT2A
SCHEMBL10241277 0.88 NPC1 (0.40) NPSR1LTB4RTSHRKMT2AMEN1
SCHEMBL10189443 0.88 POLB (0.41) NPSR1LTB4RTSHRCYP2C9MAPT
SCHEMBL10189237 0.87 ALDH1A1 (0.44) TSHRKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL10189427 0.86 S1PR1 (0.38) KMT2AMEN1L3MBTL1

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-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 NPSR1 1837/4885LTB4R 3386/4885TSHR 1559/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 NPSR1 1837/4885LTB4R 3386/4885TSHR 1559/4885

“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.