SCHEMBL3319115

SCHEMBL3319115

Cc1ccc(S(=O)(=O)OCCC2(O)CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR119 Q8TDV5 12/20 0.43
RORC P51449 4/20 0.41
MMP13 P45452 1/20 0.41
P2RX7 Q99572 2/20 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
SCHEMBL4973467 0.94 MEN1 (0.48) MEN1KMT2AGPR119MMP13P2RX7
SCHEMBL26906342 0.91 MEN1 (0.46) MEN1KMT2AGPR119RORCMMP13
SCHEMBL23531641 0.86 KMT2A (0.50) MEN1KMT2AGPR119MMP13P2RX7
SCHEMBL4980907 0.86 MEN1 (0.48) MEN1KMT2AGPR119MMP13P2RX7
SCHEMBL19205366 0.82 MEN1 (0.46) MEN1KMT2AGPR119RORCMMP13
SCHEMBL27228991 0.81 MEN1 (0.45) MEN1KMT2AGPR119RORCMMP13
SCHEMBL27228997 0.80 MEN1 (0.45) MEN1KMT2AGPR119RORCMMP13
SCHEMBL24424679 0.80 KMT2A (0.45) MEN1KMT2AGPR119RORCMMP13
SCHEMBL29227450 0.80 KMT2A (0.48) MEN1KMT2AGPR119MMP13
SCHEMBL16520138 0.80 KMT2A (0.50) MEN1KMT2AGPR119MMP13P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 MEN1 4138/4885KMT2A 496/4885GPR119 708/4885

“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.