SCHEMBL7055587

SCHEMBL7055587

COc1ccc(-n2ccc(C(=O)O)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
ATM Q13315 1/20 0.48
ABCB11 O95342 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
MARS1 P56192 1/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL28088814 0.86 ALDH1A1 (0.51) RPA1L3MBTL1ATMABCB11HDAC6
SCHEMBL23023945 0.83 LMNA (0.51) RPA1L3MBTL1TP53ALDH1A1HPGD
SCHEMBL14152395 0.80 ALDH1A1 (0.43) ATMALDH1A1MAPTHPGDMEN1
SCHEMBL27656182 0.80 MARS1 (0.45) L3MBTL1TP53ALDH1A1MAPTKMT2A
SCHEMBL31031032 0.80 KMT2A (0.45) RPA1CA1CA2TP53ALDH1A1
SCHEMBL1063920 0.79 CYP2C9 (0.61) RPA1L3MBTL1HDAC6ALDH1A1MAPT
SCHEMBL20594704 0.79 IRAK4 (0.44) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL15754423 0.78 RPA1 (0.50) RPA1L3MBTL1ATMALDH1A1MAPT
SCHEMBL14150735 0.78 KMT2A (0.64) L3MBTL1ATMMAPTKDM4EMEN1
SCHEMBL31587169 0.77 AR (0.47) L3MBTL1ATMABCB11HDAC6ALDH1A1

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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
EP-0293220-B1 Pharmacologically active 2-and 3-substituted (1', 5'-diaryl-3-pyrazolyl)-N-Hydroxypropanamides and method for synthesizing ORTHO PHARMA CORP (US) 1994-08-31 EP disclosed
US-5051518-A Antiinflammatory agents and cardiovascular disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1991-09-24 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 RPA1 506/4885L3MBTL1 2167/4885ATM 4414/4885

“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.