SCHEMBL20545862

SCHEMBL20545862

N[C@@H](CC(=O)O)c1cccc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.53
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.44
SLC13A5 Q86YT5 1/20 0.43
PTPRC P08575 1/20 0.43
KIF11 P52732 1/20 0.42
LTB4R Q15722 1/20 0.42
FABP7 O15540 2/20 0.42
FABP3 P05413 2/20 0.42
FABP5 Q01469 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK9 P45984 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL20545864 1.00 CTSA (0.53) CTSAGABRA1GABRB2KMT2ASMN1; SMN2
SCHEMBL5150990 0.85 KMT2A (0.59) KMT2APTGS2RAB9AMAPK9
SCHEMBL3728878 0.85 KMT2A (0.59) KMT2APTGS2RAB9AMAPK9
SCHEMBL31295300 0.85 KMT2A (0.59) KMT2APTGS2RAB9AMAPK9
SCHEMBL4673967 0.85 KMT2A (0.59) KMT2APTGS2RAB9AMAPK9
Hydrochloric Acid SCHEMBL7976302 0.84 KMT2A (0.58) KMT2APTGS2RAB9AMAPK9
Hydrochloric Acid SCHEMBL6755379 0.84 KMT2A (0.58) KMT2APTGS2RAB9AMAPK9
Hydrochloric Acid SCHEMBL5148928 0.84 KMT2A (0.58) KMT2APTGS2RAB9AMAPK9
SCHEMBL28885837 0.83 PRKCI (0.46) CTSAGABRA1GABRB2SMN1; SMN2RAB9A
SCHEMBL28885836 0.83 PRKCI (0.46) CTSAGABRA1GABRB2SMN1; SMN2RAB9A

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 3 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
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 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 (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 CTSA 2240/4885GABRA1 25/4885GABRB2 63/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885GABRA1 25/4885GABRB2 63/4885

“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.