SCHEMBL8533738

SCHEMBL8533738

CCS(=O)(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CYP19A1 P11511 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYP2A6 P11509 2/20 0.44
AHR P35869 3/20 0.44
NR4A2 P43354 2/20 0.44
F7 P08709 1/20 0.44

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
SCHEMBL12749605 0.88 CA12 (0.49) CA12CA1CA2CA9CYP19A1
SCHEMBL31543740 0.88 CA12 (0.49) CA12CA1CA2CA9CYP19A1
SCHEMBL31543708 0.85 CA12 (0.47) CA12CA1CA2CA9CYP19A1
SCHEMBL2868163 0.84 EPHX1 (0.48) CA12CA1CA2CA9CYP19A1
SCHEMBL31543695 0.83 CA12 (0.48) CA12CA1CA2CA9CYP19A1
SCHEMBL3213746 0.81 CA12 (0.56) CA12CA1CA2CA9CYP19A1
SCHEMBL3653313 0.80 ALDH1A1 (0.53) CA12CA1CA2CA9NPSR1
SCHEMBL9353713 0.80 CA12 (0.48) CA12CA1CA2CA9CYP19A1
SCHEMBL516725 0.78 CA1 (0.75) CA12CA1CA2CA9CYP19A1
SCHEMBL1035515 0.78 CA12 (0.56) CA12CA1CA2CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO 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-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 CA12 4011/4885CA1 4385/4885CA2 1693/4885

“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.