SCHEMBL10189310

SCHEMBL10189310

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)cc1NC(=O)[C@H](N)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
CIT O14578 1/20 0.35
PTGS2 P35354 1/20 0.34
LMNA P02545 5/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
IDO1 P14902 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
POLQ O75417 1/20 0.32

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
SCHEMBL10189312 1.00 AAK1 (0.38) AAK1CITPTGS2LMNAMAPT
SCHEMBL10189305 0.94 AAK1 (0.38) AAK1CITPTGS2LMNAMAPT
SCHEMBL10189304 0.94 AAK1 (0.38) AAK1CITPTGS2LMNAMAPT
SCHEMBL10189296 0.93 PDE4A (0.37) AAK1CITPTGS2LMNAMAPT
SCHEMBL10189306 0.91 AAK1 (0.42) AAK1CITLMNAMAPTSMN1; SMN2
SCHEMBL10189307 0.91 AAK1 (0.42) AAK1CITLMNAMAPTSMN1; SMN2
SCHEMBL10241734 0.90 AAK1 (0.40) AAK1CITPTGS2LMNAALDH1A1
SCHEMBL10240313 0.90 AAK1 (0.40) AAK1CITPTGS2LMNAALDH1A1
Hydrochloric Acid SCHEMBL623120 0.89 AAK1 (0.39) AAK1CITPTGS2LMNAALDH1A1
SCHEMBL10189342 0.88 CIT (0.39) AAK1CITPTGS2MAPTSMN1; SMN2

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 AAK1 3020/4885CIT 337/4885PTGS2 3488/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 AAK1 3020/4885CIT 337/4885PTGS2 3488/4885

“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.