SCHEMBL16812725

SCHEMBL16812725

Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)OC(C)(C)C)CC4)nc3)CC2)cccc1-c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.46
▸ CD274 Q9NZQ7 2/20 0.44
▸ AKT1 P31749 1/20 0.43
▸ SYK P43405 2/20 0.42
▸ PGR P06401 1/20 0.42
▸ GPR183 P32249 1/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ RET P07949 1/20 0.41
▸ CHRM4 P08173 4/20 0.40
▸ TP53 P04637 1/20 0.39
▸ SSTR5 P35346 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL16812730 0.93 SMO (0.46) SMOCD274AKT1SYKCKS1B
SCHEMBL16812729 0.93 SMO (0.46) SMOCD274AKT1SYKCKS1B
SCHEMBL18286598 0.93 SMO (0.51) SMOAKT1PGRGPR183CKS1B
SCHEMBL16812722 0.92 SMO (0.48) SMOCD274PGRGPR183CHRM4
SCHEMBL16811792 0.91 SMO (0.52) SMOCD274AKT1SYKCKS1B
SCHEMBL16812735 0.90 SMO (0.52) SMOCD274PGRGPR183RET
SCHEMBL18286504 0.90 SMO (0.50) SMOCD274AKT1SYKCKS1B
SCHEMBL16811853 0.87 SMO (0.53) SMOCD274AKT1SYKCKS1B
SCHEMBL16811840 0.87 SMO (0.62) SMOCD274AKT1CKS1BSKP1
SCHEMBL16812726 0.86 SMO (0.49) SMOAKT1SYKCKS1BSKP1

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-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF UNIV DUKE (US) 2015-06-18 — — 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-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF SMO, SHH, GLI1 SMO 1/4885CD274 4285/4885AKT1 137/4885

“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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