SCHEMBL7028615

SCHEMBL7028615

CSc1ccc(-c2cc(C)oc(=O)c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 7/20 0.38
AR P10275 1/20 0.36
PTGS1 P23219 2/20 0.33
MAOB P27338 3/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL7254215 0.80 KDM4E (0.50) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL7024718 0.80 KDM4E (0.35) RAB9AGSK3BKDM4EALDH1A1GLA
SCHEMBL7023473 0.78 RAB9A (0.50) RAB9AMEN1PKMKMT2AGSK3B
SCHEMBL7024957 0.78 PTGS2 (0.49) PTGS2
SCHEMBL7026406 0.77 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7030836 0.77 GSK3B (0.47) RAB9AMEN1PKMKMT2AGSK3B
SCHEMBL7029451 0.77 PTGS1 (0.43) PTGS2PTGS1
SCHEMBL7257856 0.76 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7257830 0.76 RAB9A (0.38) RAB9AMEN1PKMKMT2AGSK3B
SCHEMBL7254182 0.74 PTGS2 (0.40) RAB9AGSK3BKDM4EALDH1A1GLA

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
EP-1299372-A1 PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 2003-04-09 EP disclosed
WO-2003006451-A1 4-PHENYLPYRAN-2-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-23 WO disclosed
US-6465509-B2 FOR THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT MERCK FROSST CANADA & CO. (CA) 2002-10-15 US disclosed
US-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent MERCK FROSST CANADA LTD. (CA) 2002-05-16 US disclosed
WO-2002002547-A1 PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 2002-01-10 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-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent PTGS1, PTGES2, PTGS2 RAB9A 4418/4885MEN1 3049/4885PKM 3516/4885

“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.