SCHEMBL25600174

SCHEMBL25600174

COC(=O)[C@H](C)NC(=O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BIRC2 Q13490 2/20 0.44
MME P08473 1/20 0.44
CA14 Q9ULX7 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 2/20 0.40
CA2 P00918 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 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
SCHEMBL25602591 0.83 TSHR (0.47) TSHRMEN1KMT2ABIRC2MME
SCHEMBL3163881 0.82 TSHR (0.46) TSHRMEN1KMT2ABIRC2MME
SCHEMBL22383958 0.80 ALDH1A1 (0.39) ALDH1A1GAACA2NPSR1GPR55
SCHEMBL22062457 0.80 ALDH1A1 (0.39) ALDH1A1GAACA2NPSR1GPR55
SCHEMBL10272433 0.80 TSHR (0.51) TSHRMEN1KMT2ABIRC2CA14
SCHEMBL2081022 0.80 TSHR (0.51) TSHRMEN1KMT2ABIRC2CA14
SCHEMBL25967050 0.80 TSHR (0.51) TSHRMEN1KMT2ABIRC2CA14
SCHEMBL24185443 0.79 CA12 (0.47) TSHRMEN1KMT2ABIRC2MME
SCHEMBL24185438 0.79 CA12 (0.47) TSHRMEN1KMT2ABIRC2MME
SCHEMBL28601128 0.79 CA12 (0.47) TSHRMEN1KMT2ABIRC2MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 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 (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-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 TSHR 1855/4885MEN1 2853/4885KMT2A 1533/4885

“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.