SCHEMBL334877

SCHEMBL334877

COc1ccc(C(C)=O)cc1CSc1nnnn1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.70
ATM Q13315 1/20 0.70
ALDH1A1 P00352 13/20 0.60
MAPK1 P28482 1/20 0.58
HPGD P15428 2/20 0.57
POLB P06746 2/20 0.57
PTGDR2 Q9Y5Y4 4/20 0.56
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL10968749 0.73 HSD17B10 (0.55) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL5114061 0.72 PTGDR2 (1.00) PTGDR2CYP3A4CYP2C9
SCHEMBL5114131 0.71 PTGDR2 (0.82) PTGDR2CYP3A4CYP2C9
SCHEMBL2536360 0.71 ALDH1A1 (0.69) PKMATMALDH1A1MAPK1HPGD
SCHEMBL5110886 0.70 PTGDR2 (1.00) PTGDR2CYP3A4CYP2C9
SCHEMBL6342125 0.70 ALDH1A1 (0.71) ALDH1A1MAPK1HPGDPOLBMEN1
SCHEMBL29956084 0.70 ALDH1A1 (1.00) ALDH1A1MAPK1HPGDPOLBPTGDR2
SCHEMBL14003532 0.69 ALDH1A1 (0.69) PKMALDH1A1MAPK1HPGDPOLB
SCHEMBL5119602 0.69 PTGDR2 (0.82) PTGDR2CYP3A4CYP2C9
SCHEMBL4921600 0.69 ALDH1A1 (0.69) PKMATMALDH1A1HPGDPOLB

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 PKM 4614/4885ATM 4681/4885ALDH1A1 1939/4885

“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.