SCHEMBL7799557

SCHEMBL7799557

N[C@H](CC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
KMO O15229 3/20 0.59
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HIF1A Q16665 2/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL2860324 1.00 TSHR (0.64) TSHRKMOALPIPKMPTGS1
SCHEMBL2791083 1.00 TSHR (0.64) TSHRKMOALPIPKMPTGS1
Hydrochloric Acid SCHEMBL27416033 0.98 TSHR (0.62) TSHRKMOALPIPKMPTGS1
Hydrochloric Acid SCHEMBL27416030 0.98 TSHR (0.62) TSHRKMOALPIPKMPTGS1
Hydrochloric Acid SCHEMBL27417447 0.98 TSHR (0.62) TSHRKMOALPIPKMPTGS1
SCHEMBL11148099 0.86 TSHR (0.53) TSHRKMOALPIPKMPTGS1
SCHEMBL29151574 0.85 KMT2A (0.55) TSHRKMOALPIPKMPTGS1
SCHEMBL5281538 0.84 KMO (0.60) TSHRKMOALPISLC7A5KDM4E
SCHEMBL9064982 0.84 KMO (0.60) TSHRKMOALPIPKMPTGS1
SCHEMBL10517046 0.83 TSHR (0.63) TSHRKDM4ETDP1HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592046-B Optically active valine compound and production method thereof 黄冈威尔曼生物科技有限责任公司 2017-02-22 CN claimed
EP-4617271-A1 PROTEOLYTIC CHIMERAS FOR THE TREATMENT OF A CANCER RELATED TO CERT Consejo Superior De Investigaciones Científicas - CSIC (ES) 2025-09-17 EP disclosed
CN-104592046-B Optically active valine compound and production method thereof 黄冈威尔曼生物科技有限责任公司 2017-02-22 CN disclosed
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
CN-1112786-A 2-amino-4-phenyl-4-oxo-butyric acid derivatives with kynureninase and/or kynurenine-3-hydroxylase inhibiting activity PHARMACIA SPA (IT) 1995-11-29 CN 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 TSHR 4661/4885KMO 2/4885ALPI 2375/4885

“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.