SCHEMBL3049603

SCHEMBL3049603

CCC(C(=O)O)c1cscc1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CYP17A1 P05093 2/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ LCK P06239 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ ELANE P08246 1/20 0.33

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
SCHEMBL1066439 0.78 METAP1 (0.45) CYP17A1METAP1PI4KBBRD9LCK
SCHEMBL4899037 0.74 CCR2 (0.44) PI4KBCA1CA2
SCHEMBL15813380 0.74 CYP17A1 (0.34) PPARGPPARACYP17A1MEN1GAA
SCHEMBL5029628 0.73 PTPN1 (0.56) CYP17A1METAP1MEN1GAAKMT2A
SCHEMBL3633543 0.72 PTGDR2 (0.40) CYP17A1METAP1PI4KBCNR2BRD9
SCHEMBL3039310 0.72 MAPT (0.49) CYP17A1METAP1PI4KBBRD9LCK
SCHEMBL27399409 0.72 METAP1 (0.39) CYP17A1METAP1PI4KBMEN1GAA
SCHEMBL1877214 0.71 CYP17A1 (0.53) PPARGPPARACYP17A1
SCHEMBL23960291 0.71 ATR (0.43) CYP17A1METAP1BRD9LCKCA1
SCHEMBL22774998 0.71 CA1 (0.42) CYP17A1METAP1MEN1KMT2ABRD9

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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 — — US claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 — — 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 PPARG 824/4885PPARA 1309/4885CYP17A1 1062/4885

“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.

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