SCHEMBL20545926

SCHEMBL20545926

Nc1cccc([C@@H](N)CC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CPN1 P15169 1/20 0.54
▸ CPB2 Q96IY4 1/20 0.54
▸ ANPEP P15144 1/20 0.47
▸ ENPEP Q07075 1/20 0.47
▸ GABBR2 O75899 1/20 0.44
▸ GABBR1 Q9UBS5 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KYNU Q16719 1/20 0.41
▸ MME P08473 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL4612046 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ACPN1CPB2ANPEP
SCHEMBL28032979 0.83 CPN1 (0.51) SMN1; SMN2KMT2ACPN1CPB2ANPEP
SCHEMBL27633557 0.82 CPB2 (0.54) SMN1; SMN2KMT2ACPN1CPB2GABBR2
SCHEMBL3864634 0.82 KMT2A (0.60) SMN1; SMN2KMT2AANPEPENPEPGABBR2
SCHEMBL3874627 0.82 KMT2A (0.60) SMN1; SMN2KMT2AANPEPENPEPGABBR2
SCHEMBL3864639 0.82 KMT2A (0.60) SMN1; SMN2KMT2AANPEPENPEPGABBR2
SCHEMBL20546132 0.81 KMT2A (0.58) SMN1; SMN2KMT2AANPEPENPEPGABBR2
SCHEMBL20546130 0.81 KMT2A (0.58) SMN1; SMN2KMT2AANPEPENPEPGABBR2
SCHEMBL4011437 0.81 KMT2A (0.55) SMN1; SMN2KMT2AANPEPENPEPFFAR1
SCHEMBL21459503 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AANPEPENPEPGABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 — — EP disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 — — US disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 — — EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 — — US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 — — 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 (2 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-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 SMN1; SMN2 2021/4885KMT2A 4455/4885CPN1 3083/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 SMN1; SMN2 2021/4885KMT2A 4455/4885CPN1 3083/4885

“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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