SCHEMBL20545703

SCHEMBL20545703

N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.56
MMP12 P39900 2/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
PTGS2 P35354 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC1A3 P43003 1/20 0.46

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
SCHEMBL1310193 1.00 FFAR1 (0.56) FFAR1MMP12MMP2MMP9MMP13
Hydrochloric Acid SCHEMBL6949714 0.98 FFAR1 (0.54) FFAR1MMP12MMP2MMP9MMP13
SCHEMBL288753 0.88 GABBR2 (0.59) KMT2ASMN1; SMN2GABBR2GABBR1
SCHEMBL59840 0.88 GABBR2 (0.59) KMT2ASMN1; SMN2GABBR2GABBR1
SCHEMBL123765 0.88 GABBR2 (0.59) KMT2ASMN1; SMN2GABBR2GABBR1
Hydrochloric Acid SCHEMBL3874351 0.86 GABBR2 (0.57) KMT2ASMN1; SMN2GABBR2GABBR1
SCHEMBL9386161 0.86 GABBR2 (0.57) KMT2ASMN1; SMN2GABBR2GABBR1
Hydrochloric Acid SCHEMBL4150999 0.86 GABBR2 (0.57) KMT2ASMN1; SMN2GABBR2GABBR1
Hydrochloric Acid SCHEMBL2934796 0.86 GABBR2 (0.57) KMT2ASMN1; SMN2GABBR2GABBR1
SCHEMBL7237718 0.85 FFAR1 (0.56) FFAR1

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 FFAR1 37/4885MMP12 2983/4885MMP2 2106/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885MMP12 2983/4885MMP2 2106/4885

“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.