SCHEMBL17799057

SCHEMBL17799057

N[C@@](Cc1ccc(Cl)c(Cl)c1)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.45
▸ FABP7 O15540 2/20 0.45
▸ KIF11 P52732 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ EPHX2 P34913 1/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ FDPS P14324 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGFR P43088 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ PYGL P06737 1/20 0.34

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
SCHEMBL16634841 0.87 SMN1; SMN2 (0.46) FABP5FABP7KIF11KMT2ASMN1; SMN2
SCHEMBL5264305 0.86 SMN1; SMN2 (0.55) FABP5FABP7KMT2ASMN1; SMN2HIF1A
SCHEMBL27522574 0.86 SMN1; SMN2 (0.55) FABP5FABP7KMT2ASMN1; SMN2HIF1A
SCHEMBL29019464 0.86 SMN1; SMN2 (0.55) FABP5FABP7KMT2ASMN1; SMN2HIF1A
SCHEMBL31351931 0.85 KMT2A (0.41) FABP5FABP7KMT2ASMN1; SMN2HIF1A
SCHEMBL29663619 0.81 FABP5 (0.44) FABP5FABP7KMT2AEPHX2TBXA2R
SCHEMBL1311053 0.81 FABP5 (0.44) FABP5FABP7KMT2ASMN1; SMN2HIF1A
SCHEMBL29019449 0.81 MGLL (0.41) FABP5FABP7KMT2ASMN1; SMN2HIF1A
SCHEMBL29019448 0.81 MGLL (0.41) FABP5FABP7KMT2ASMN1; SMN2HIF1A
SCHEMBL31522719 0.80 HIF1A (0.44) FABP5FABP7KMT2ASMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PROTAGONIST THERAPEUTICS, INC. 2022-06-16 — — US disclosed
US-20220162261-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2022-05-26 — — US disclosed
US-11111272-B2 α4α7 peptide monomer and dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2021-09-07 — — US disclosed
EP-3200812-B1 NOVEL ALPHA4BETA7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS INC (US) 2020-11-25 — — EP disclosed
US-20200308229-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2020-10-01 — — US disclosed
US-10301371-B2 Cyclic monomer and dimer peptides having integrin antagonist activity PROTAGONIST THERAPEUTICS, INC. (US) 2019-05-28 — — US disclosed
US-20180105572-A1 NOVEL CYCLIC MONOMER AND DIMER PEPTIDES HAVING INTEGRIN ANTAGONIST ACTIVITY PROTAGONIST THERAPEUTICS, INC. 2018-04-19 — — US disclosed
US-9518091-B2 A4B7 peptide monomer and dimer antagonists PROTAGONIST THERAPEUTICS, INC. 2016-12-13 — — US disclosed
US-20160159862-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-06-09 — — 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 (7 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-20160159862-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS EPCAM, VCAM1, ITGB7 FABP5 583/4885FABP7 139/4885KIF11 2484/4885
US-20200308229-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS EPCAM, VCAM1, ITGB7 FABP5 583/4885FABP7 139/4885KIF11 2484/4885
US-10301371-B2 Cyclic monomer and dimer peptides having integrin antagonist activity EPCAM, VCAM1, ICAM1 FABP5 1511/4885FABP7 810/4885KIF11 4269/4885
US-20180105572-A1 NOVEL CYCLIC MONOMER AND DIMER PEPTIDES HAVING INTEGRIN ANTAGONIST ACTIVITY VCAM1, EPCAM, ICAM1 FABP5 1679/4885FABP7 709/4885KIF11 4217/4885
US-11111272-B2 α4α7 peptide monomer and dimer antagonists VCAM1, EPCAM, NECTIN4 FABP5 525/4885FABP7 187/4885KIF11 3071/4885
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PSMA7, ITGB7, SCN7A FABP5 1359/4885FABP7 61/4885KIF11 2580/4885
US-20220162261-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS EPCAM, VCAM1, ITGB7 FABP5 583/4885FABP7 139/4885KIF11 2484/4885

“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.

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