SCHEMBL16812723

SCHEMBL16812723

CC(C)(C)OC(=O)NC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(F)c(-c5ccc(OC(F)(F)F)nc5)c4)CC3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.49
▸ RET P07949 4/20 0.43
▸ HPGDS O60760 4/20 0.43
▸ SYK P43405 1/20 0.42
▸ SSTR5 P35346 4/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40

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
SCHEMBL16812726 0.93 SMO (0.49) SMORETHPGDSSYKSSTR5
SCHEMBL16812727 0.93 SMO (0.49) SMORETHPGDSSYKSSTR5
SCHEMBL18286600 0.93 SMO (0.50) SMORETHPGDSSSTR5MCHR1
SCHEMBL16812720 0.92 SMO (0.52) SMORETHPGDSSSTR5MCHR1
SCHEMBL16811791 0.91 SMO (0.54) SMORETHPGDSSYKSSTR5
SCHEMBL16812734 0.90 SMO (0.56) SMORETHPGDSMCHR1
SCHEMBL18286473 0.90 SMO (0.52) SMORETHPGDSSYKSSTR5
SCHEMBL16811813 0.88 SMO (0.56) SMORETHPGDSSSTR5MCHR1
SCHEMBL16811785 0.87 SMO (0.67) SMORETHPGDSSSTR5MCHR1
SCHEMBL16812730 0.86 SMO (0.46) SMORETSYKPARP1PARP2

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 1/4885RET 439/4885HPGDS 229/4885

“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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