SCHEMBL4959362

SCHEMBL4959362

CC(=O)OC[C@H](NC1=NC(=O)CS1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
GLS O94925 1/20 0.37
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGS1 P23219 1/20 0.33
MAN2B1 O00754 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 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
SCHEMBL4959358 1.00 CYP1A2 (0.43) CYP1A2POLBGLSLMNASMN1; SMN2
SCHEMBL4959364 1.00 CYP1A2 (0.43) CYP1A2POLBGLSLMNASMN1; SMN2
SCHEMBL14272149 0.85 EGFR (0.41) CYP1A2POLBAURKARPS6KB1
SCHEMBL3881981 0.81 MAPKAPK2 (0.44) CYP1A2POLBMAN2B1AURKARPS6KB1
SCHEMBL4960465 0.81 MAPKAPK2 (0.44) CYP1A2POLBMAN2B1AURKARPS6KB1
SCHEMBL5127639 0.70 LMNA (0.48) LMNASMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL14624851 0.68 KMT2A (0.46) ALDH1A1KMT2A
SCHEMBL14197182 0.67 GPR88 (0.46) LMNAALDH1A1KMT2AMEN1
SCHEMBL14224511 0.67 SMN1; SMN2 (0.48) POLBLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL9601863 0.66 ALDH1A1 (0.53) CYP1A2GLSSMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
EP-1805175-A1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS F. Hoffmann-Roche AG (CH) 2007-07-11 EP disclosed
US-20060084674-A1 Azaindole thiazolinones CHEN SHAOQING 2006-04-20 US disclosed
WO-2006040049-A1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 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-20060084674-A1 Azaindole thiazolinones CDK1, CDK2, CDK12 CYP1A2 3707/4885POLB 1055/4885GLS 2121/4885

“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.