SCHEMBL6237516

SCHEMBL6237516

C[C@@H](Nc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HCAR3 P49019 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MITF O75030 2/20 0.43
SRD5A2 P31213 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41

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
SCHEMBL350280 1.00 TP53 (0.48) TP53TSHRKDM4ETDP1KMT2A
SCHEMBL350279 1.00 TP53 (0.48) TP53TSHRKDM4ETDP1KMT2A
SCHEMBL4195533 0.86 KMT2A (0.59) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL4195531 0.86 KMT2A (0.59) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL1485846 0.85 LMNA (0.43) TSHRKDM4ETDP1KMT2AMEN1
SCHEMBL27999259 0.85 POLB (0.48) TSHRTDP1KMT2AMEN1LMNA
SCHEMBL1663456 0.83 HCAR3 (0.55) TP53TSHRKDM4ETDP1KMT2A
SCHEMBL669563 0.83 MAPK13 (0.61) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL669564 0.83 MAPK13 (0.61) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL7146207 0.82 F2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193285-A1 Neuroprotectants formulations and methods NEURON THERAPEUTICS 2002-12-19 US claimed
US-8992949-B1 Biocompatible polymeric compositions having microcrystalline and amorphous components and methods for their manufacture UNICARE BIOMEDICAL, INC. (US) 2015-03-31 US disclosed
EP-1539169-A2 AMYOTROPHIC LATERAL SCLEROSIS TREATMENT WITH CYCLOOXYGENASE-2 INHIBITORS Pharmacia Corporation (US) 2005-06-15 EP disclosed
US-20040063751-A1 Combination therapy for the treatment of amyotrophic lateral sclerosis (ALS) with cyclooxygenase-2 (COX-2) inhibitor(s) and a second drug PHARMACIA CORPORATION 2004-04-01 US disclosed
WO-2003101380-A2 AMYOTROPHIC LATERAL SCLEROSIS TREATMENT WITH CYCLOOXYGENASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2003-12-11 WO disclosed
EP-0776364-A1 GLUTAMATE RECEPTOR Novartis AG (CH) 1997-06-04 EP disclosed
WO-1996006167-A1 GLUTAMATE RECEPTOR NOVARTIS AG (CH) 1996-02-29 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-20040063751-A1 Combination therapy for the treatment of amyotrophic lateral sclerosis (ALS) with cyclooxygenase-2 (COX-2) inhibitor(s) and a second drug SMN1; SMN2, PTGS2, PTGES2 TP53 4055/4885TSHR 4695/4885KDM4E 3310/4885

“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.