SCHEMBL23326474

SCHEMBL23326474

Cc1cc(Cl)cc(C)c1CC(=O)NC1(C(=O)O)CCC2(CC1)OCC(C)O2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.37
SHMT2 P34897 2/20 0.37
P2RX7 Q99572 10/20 0.36
AKR1B1 P15121 1/20 0.34
ERAP1 Q9NZ08 2/20 0.33
FABP4 P15090 3/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL19838175 0.86 SHMT1 (0.35) SHMT1SHMT2P2RX7ERAP1FABP4
SCHEMBL19838161 0.84 SHMT1 (0.41) SHMT1SHMT2P2RX7ERAP1FABP4
SCHEMBL30554129 0.82 SHMT1 (0.35) SHMT1SHMT2P2RX7ERAP1FABP4
SCHEMBL2362122 0.82 HCRTR2 (0.32)
SCHEMBL19838268 0.82 SHMT1 (0.35) SHMT1SHMT2P2RX7AKR1B1ERAP1
SCHEMBL2355303 0.80 HCRTR2 (0.35) SHMT1SHMT2AKR1B1
SCHEMBL19838169 0.78 PYGL (0.33) SHMT1SHMT2
SCHEMBL2362279 0.78 HCRTR2 (0.33) AKR1B1
SCHEMBL21049517 0.76 SHMT1 (0.42) SHMT1SHMT2P2RX7ERAP1FABP4
SCHEMBL19838170 0.76 PYGL (0.36) SHMT1SHMT2

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-20220267291-A1 PROCESS FOR PREPARING ESTERS OF N-ACYLATED AMINO ACIDS WITH ACID-LABILE KETO PROTECTIVE GROUP FUNCTIONS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-25 US disclosed
US-11384061-B2 Process for preparing esters of N-acylated amino acids with acid-labile keto protective group functions BAYER AKTIENGESELLSCHAFT (DE) 2022-07-12 US disclosed
US-20210139450-A1 PROCESS FOR PREPARING ESTERS OF N-ACYLATED AMINO ACIDS WITH ACID-LABILE KETO PROTECTIVE GROUP FUNCTIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-13 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 (3 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-11384061-B2 Process for preparing esters of N-acylated amino acids with acid-labile keto protective group functions AADAT, DNPEP, BCKDK SHMT1 1260/4885SHMT2 1087/4885P2RX7 4878/4885
US-20210139450-A1 PROCESS FOR PREPARING ESTERS OF N-ACYLATED AMINO ACIDS WITH ACID-LABILE KETO PROTECTIVE GROUP FUNCTIONS AADAT, DNPEP, BCKDK SHMT1 1260/4885SHMT2 1087/4885P2RX7 4878/4885
US-20220267291-A1 PROCESS FOR PREPARING ESTERS OF N-ACYLATED AMINO ACIDS WITH ACID-LABILE KETO PROTECTIVE GROUP FUNCTIONS AADAT, DNPEP, BCKDK SHMT1 1260/4885SHMT2 1087/4885P2RX7 4878/4885

“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.