SCHEMBL720372

SCHEMBL720372

CS(=O)(=O)c1ccc(OCCCCBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 6/20 0.50
CA7 P43166 2/20 0.50
TSHR P16473 2/20 0.50
CA4 P22748 4/20 0.47
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GPR119 Q8TDV5 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9169172 0.95 CA12 (0.51) CA12CA1CA2CA9CA7
SCHEMBL2432171 0.89 CA12 (0.49) CA12CA1CA2CA9CA7
SCHEMBL13527258 0.84 CA12 (0.66) CA12CA1CA2CA9CA7
SCHEMBL6378122 0.83 CA12 (0.70) CA12CA1CA2CA9CA7
SCHEMBL9453006 0.82 TSHR (0.64) CA12CA1CA2CA9CA7
SCHEMBL10460537 0.81 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL28049790 0.81 CA12 (0.45) CA12CA1CA2CA9CA7
SCHEMBL18088503 0.81 GPR119 (0.52) CA12CA1CA2CA9CA7
SCHEMBL11615899 0.80 KCNA3 (0.55) TSHRL3MBTL1GAA
SCHEMBL14080761 0.80 CA12 (0.56) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 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-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR CA12 2010/4885CA1 1372/4885CA2 251/4885

“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.