SCHEMBL48744

SCHEMBL48744

CC(=O)NC1=NC(C)(c2ccc(NS(C)(=O)=O)cc2)CS1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 4/20 0.39
PIP4K2B P78356 4/20 0.39
HPGD P15428 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL48673 0.81 BACE1 (0.39) ALDH1A1LMNARECQLTDP1
SCHEMBL2343374 0.74 CA2 (0.36) ALDH1A1HTT
SCHEMBL10868056 0.70 HPGD (0.67) PIP4K2APIP4K2BHPGDSMN1; SMN2MAPK1
SCHEMBL26728374 0.65 PTK2 (0.54) PIP4K2APIP4K2BHPGDSMN1; SMN2NAMPT
SCHEMBL5673110 0.63 CYP26A1 (0.59) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL12054668 0.62 KEAP1 (0.75) HPGDSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL27758157 0.62 CA12 (0.46) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL2746245 0.61 CA12 (0.50) PIP4K2APIP4K2BHPGDSMN1; SMN2KDM4E
SCHEMBL5674433 0.61 CA12 (0.45) HPGDSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL15456908 0.61 HPGD (0.50) PIP4K2APIP4K2BHPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B PIP4K2A 15/4885PIP4K2B 13/4885HPGD 3220/4885

“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.