SCHEMBL2182113

SCHEMBL2182113

Cc1cc(Br)cc(C(C)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.44
PTGS1 P23219 9/20 0.39
CXCR1 P25024 4/20 0.39
CXCR2 P25025 4/20 0.39
LMNA P02545 3/20 0.39
SLC22A6 Q4U2R8 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PMP22 Q01453 2/20 0.39
CXCL8 P10145 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
AKR1C3 P42330 9/20 0.38

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
SCHEMBL5916145 0.88 PTGS2 (0.45) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL5846200 0.86 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL8960142 0.86 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
Hydrochloric Acid SCHEMBL5846495 0.84 PTGS2 (0.53) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL24628718 0.81 PTGS2 (0.40) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL29415828 0.79 PTGS2 (0.41) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL1500630 0.79 PTGS2 (0.41) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL135272 0.79 APP (0.45) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL19707538 0.75 GABRA1 (0.37) ALDH1A1MAPK1
SCHEMBL2183207 0.75 NOTUM (0.47) AKR1C3AKR1C2

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-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 PTGS2 2363/4885PTGS1 1721/4885CXCR1 4713/4885

“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.