SCHEMBL4339604

SCHEMBL4339604

COc1ccc(CC(C(=O)O)C(=O)O)cc1CCOC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
LDHA P00338 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL13810403 0.94 KMT2A (0.49) KMT2AMEN1ATMLDHACYP1A2
SCHEMBL4329942 0.90 MEN1 (0.48) KMT2AMEN1ATMLDHACYP1A2
SCHEMBL4334163 0.89 MEN1 (0.45) KMT2AMEN1ATMCYP1A2CYP3A4
SCHEMBL13810390 0.84 KMT2A (0.48) KMT2AMEN1ATMLDHACYP1A2
SCHEMBL4340279 0.82 LDHA (0.46) KMT2AMEN1LDHANPSR1RAB9A
SCHEMBL4331674 0.81 RAB9A (0.49) KMT2AMEN1ATMRAB9ANPC1
SCHEMBL4334960 0.81 NPSR1 (0.55) LDHANPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL4336851 0.81 LDHA (0.47) KMT2AMEN1ATMLDHANPSR1
SCHEMBL4341241 0.80 KDM4E (0.44) KMT2AMEN1ATMLDHACYP2C19
SCHEMBL4331610 0.80 LDHA (0.50) KMT2AMEN1LDHANPSR1RAB9A

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 KMT2A 2774/4885MEN1 4091/4885ATM 3249/4885

“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.