SCHEMBL9923630

SCHEMBL9923630

CCBOc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
ACHE P22303 4/20 0.47
MMP13 P45452 3/20 0.43
ADAMTS4 O75173 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL11862063 0.82 CA1 (0.65) CA1CA2CA12CA9ACHE
SCHEMBL9177535 0.81 CA1 (0.63) CA1CA2CA12CA9MAPT
SCHEMBL30278496 0.80 CA1 (0.57) CA1CA2CA12CA9ACHE
SCHEMBL3829119 0.78 CA1 (0.57) CA1CA2CA12CA9MMP2
SCHEMBL3819564 0.78 CA1 (0.53) CA1CA2CA12CA9ACHE
SCHEMBL27643285 0.76 CA1 (0.55) CA1CA2CA12CA9ACHE
SCHEMBL3821884 0.76 CA1 (0.57) CA1CA2CA12CA9ACHE
SCHEMBL7605430 0.74 CA1 (0.67) CA1CA2CA12CA9ACHE
SCHEMBL5931094 0.74 EGFR (0.55) CA1CA2CA12CA9MAPT
SCHEMBL26571620 0.72 CA1 (0.58) CA1CA2CA12CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845313-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-12-19 US disclosed
US-20170340646-A1 Methods and Compositions for Decreasing Gastric Emptying PURDUE PHARMA L.P. 2017-11-30 US disclosed
US-9763955-B2 Methods and compositions for decreasing gastric emptying PURDUE PHARMA L.P. (US) 2017-09-19 US disclosed
US-20160243129-A1 Methods and Compositions for Decreasing Gastric Emptying PURDUE PHARMA L.P. 2016-08-25 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 (2 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-20160243129-A1 Methods and Compositions for Decreasing Gastric Emptying GIPR, SLC10A2, CCKBR CA1 543/4885CA2 172/4885CA12 1956/4885
US-20170340646-A1 Methods and Compositions for Decreasing Gastric Emptying GIPR, SLC10A2, CCKBR CA1 543/4885CA2 172/4885CA12 1956/4885

“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.