SCHEMBL2373430

SCHEMBL2373430

CCC(=O)c1ccc(F)c(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.59
CES1 P23141 3/20 0.59
HSP90AB1 P08238 1/20 0.46
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
RIPK1 Q13546 1/20 0.38
BCHE P06276 1/20 0.38
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
HMGCR P04035 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL1261683 0.84 HSP90AB1 (0.47) CES2CES1HSP90AB1TSHRPOLB
SCHEMBL13461914 0.84 HSP90AB1 (0.47) CES2CES1HSP90AB1TSHRPOLB
SCHEMBL27581775 0.83 MEP1B (0.43) CES2CES1HSP90AB1ALDH1A1HMGCR
SCHEMBL27911143 0.82 CES2 (0.44) CES2CES1HSP90AB1TSHRPOLB
SCHEMBL27853983 0.82 CES2 (0.44) CES2CES1HSP90AB1TSHRPOLB
SCHEMBL633282 0.82 CES2 (0.61) CES2CES1HSP90AB1RIPK1BCHE
SCHEMBL16284301 0.82 HSP90AB1 (0.53) CES2CES1HSP90AB1POLBALDH1A1
SCHEMBL31599609 0.82 CES2 (0.61) CES2CES1HSP90AB1RIPK1BCHE
SCHEMBL8945742 0.80 CES2 (0.55) CES2CES1POLBRIPK1BCHE
SCHEMBL5388423 0.80 CES2 (0.67) CES2CES1HSP90AB1TSHRPOLB

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
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
CN-104169276-A Process for the preparation of chiral isoxazoline azetidine derivatives as antiparasitic agents ZOETIS LLC 2014-11-26 CN disclosed
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CES2 4840/4885CES1 4166/4885HSP90AB1 3270/4885

“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.