SCHEMBL849374

SCHEMBL849374

O=S(=O)(O)CCc1ccccc1Br.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
GPR52 Q9Y2T5 1/20 0.41
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
IDO1 P14902 2/20 0.38
PLCG1 P19174 1/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAOB P27338 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL13552082 0.98 TAAR1 (0.50) TAAR1GPR52CA1CA2CA12
SCHEMBL28000111 0.82 TAAR1 (0.54) TAAR1GPR52CA1CA2CA12
SCHEMBL9775042 0.80 TAAR1 (0.42) TAAR1CA1CA2CA12CA9
SCHEMBL31627087 0.78 TAAR1 (0.50) TAAR1GPR52CA1CA2CA12
SCHEMBL848881 0.78 TAAR1 (0.50) TAAR1GPR52CA1CA2CA12
SCHEMBL13555094 0.78 TAAR1 (0.50) TAAR1GPR52CA1CA2CA12
SCHEMBL9300506 0.78 TAAR1 (0.43) TAAR1CA1CA2CA12CA9
SCHEMBL849373 0.77 TAAR1 (0.48) TAAR1GPR52CA1CA2CA12
SCHEMBL10976350 0.76 MGLL (0.56) TAAR1CA1CA2CA12CA9
SCHEMBL4967989 0.75 PKM (0.34) CA1CA2CA12CA9L3MBTL1

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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TAAR1 1101/4885GPR52 2075/4885CA1 3253/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TAAR1 1101/4885GPR52 2075/4885CA1 3253/4885

“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.