SCHEMBL3667182

SCHEMBL3667182

COc1cc(F)c(C(N)=S)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
RAD52 P43351 1/20 0.43
CDK4 P11802 2/20 0.36
CDK2 P24941 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP3A4 P08684 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CPS1 P31327 1/20 0.34

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
SCHEMBL9241705 0.79 TAAR1 (0.52) TAAR1ALDH1A1CDK4CDK2CYP3A4
SCHEMBL2031677 0.75 PPP5C (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL158153 0.75 TAAR1 (0.56) TAAR1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL1646977 0.72 POLB (0.45) TAAR1ALDH1A1CPS1RAB9A
SCHEMBL2382494 0.72 CYP3A4 (0.53) TAAR1ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL15327909 0.72 RAB9A (0.48) TAAR1ALDH1A1CYP1A2CYP3A4HDAC1
SCHEMBL31493215 0.71 ALDH1A1 (0.47) ALDH1A1HPGDRAD52CYP3A4GRIN2D
SCHEMBL31493214 0.71 ALDH1A1 (0.47) ALDH1A1HPGDRAD52CYP3A4GRIN2D
SCHEMBL3373995 0.71 ALDH1A1 (0.52) ALDH1A1HPGDRAD52CYP1A1CYP1B1
SCHEMBL1759022 0.71 TAAR1 (0.42) TAAR1ALDH1A1HPGDCDK4CDK2

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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 TAAR1 3290/4885ALDH1A1 890/4885HPGD 365/4885

“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.