SCHEMBL21950786

SCHEMBL21950786

CCCC(=O)N[C@@H](CCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
PRSS1 P07477 1/20 0.49
CTSG P08311 1/20 0.49
CTRB1 P17538 1/20 0.49
CMA1 P23946 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
PLAAT3 P53816 2/20 0.44
PLAAT5 Q96KN8 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
PLAAT4 Q9UL19 2/20 0.44
MAPT P10636 1/20 0.43
MME P08473 3/20 0.43

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
SCHEMBL21837400 0.84 FOLH1 (0.47) FOLH1CTSGCMA1ALDH1A1KMT2A
SCHEMBL21837402 0.84 FOLH1 (0.47) FOLH1CTSGCMA1ALDH1A1KMT2A
SCHEMBL21837393 0.82 TAAR1 (0.51) FOLH1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL21837394 0.82 TAAR1 (0.51) FOLH1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL4060569 0.82 POLB (0.52) FOLH1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL21950787 0.81 FOLH1 (0.47) FOLH1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4958129 0.79 CTSL (0.62) FOLH1ALDH1A1
SCHEMBL31407513 0.79 CTSL (0.62) FOLH1ALDH1A1
SCHEMBL18228830 0.79 ACE (0.54) CTSGCMA1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18228922 0.79 ACE (0.54) CTSGCMA1ALDH1A1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 FOLH1 1020/4885CHRNB2 3094/4885CHRNB4 2787/4885

“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.