SCHEMBL7143741

SCHEMBL7143741

CO[C@@H]1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK14 Q16539 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7139747 1.00 UCHL1 (0.47) UCHL1JAK2JAK1CYP2C9CYP2C19
SCHEMBL7142421 0.88 ALDH1A1 (0.46) JAK2JAK1CYP2C9CYP2C19MAPK14
SCHEMBL6691355 0.88 ALDH1A1 (0.46) JAK2JAK1CYP2C9CYP2C19MAPK14
SCHEMBL6684723 0.88 CYP2C9 (0.50) CYP2C9CYP2C19MAPK14ALDH1A1L3MBTL1
SCHEMBL6692099 0.88 CYP2C9 (0.50) CYP2C9CYP2C19MAPK14ALDH1A1L3MBTL1
SCHEMBL6661762 0.83 HSD17B10 (0.63) UCHL1CYP2C9CYP2C19MAPK14MEN1
SCHEMBL6655904 0.83 HSD17B10 (0.63) UCHL1CYP2C9CYP2C19MAPK14MEN1
SCHEMBL6663316 0.83 HSD17B10 (0.63) UCHL1CYP2C9CYP2C19MAPK14MEN1
SCHEMBL6692481 0.81 CYP2C9 (0.50) CYP2C9CYP2C19MAPK14ALDH1A1L3MBTL1
SCHEMBL6692489 0.81 CYP2C9 (0.50) CYP2C9CYP2C19MAPK14ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway VERTEX PHARMACEUTICALS, INCORPORATED 2003-10-09 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-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 UCHL1 4520/4885JAK2 4406/4885JAK1 4451/4885

“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.