SCHEMBL7799487

SCHEMBL7799487

CCOC(=O)C(CC(=O)c1ccc(Br)cc1)(NC=O)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
NHERF1 O14745 1/20 0.39
GSK3B P49841 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL7797583 0.89 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTHPGDNPSR1
SCHEMBL7800741 0.87 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTNPSR1LMNA
SCHEMBL7799547 0.87 SMN1; SMN2 (0.45) ALDH1A1KMT2AMAPTHPGDNPSR1
SCHEMBL7791515 0.86 POLB (0.56) ALDH1A1KMT2AMAPTHPGDNPSR1
SCHEMBL7799502 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTNPSR1LMNA
SCHEMBL7801959 0.86 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTHPGDNPSR1
SCHEMBL7797497 0.85 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1POLBPKM
SCHEMBL12912525 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTHPGDNPSR1
SCHEMBL7797586 0.81 MAPT (0.45) ALDH1A1MAPTHPGDNPSR1LMNA
SCHEMBL7797567 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTLMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES VARASI MARIO (IT) 2001-07-19 US disclosed
EP-0662948-B1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN SPA (IT) 1998-10-07 EP disclosed
EP-0662948-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-07-19 EP disclosed
WO-1995003271-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA S.P.A. (IT) 1995-02-02 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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES KYNU, KMO, ABAT ALDH1A1 615/4885KMT2A 358/4885MAPT 206/4885

“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.