SCHEMBL20545762

SCHEMBL20545762

COc1cccc(-c2cc(OC)cc(C(N)CC(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.56
CTSA P10619 2/20 0.54
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
GNA15 P30679 1/20 0.47
MME P08473 1/20 0.47
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2A7 P20853 1/20 0.45
CYP3A7 P24462 1/20 0.45

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
SCHEMBL20545760 1.00 FFAR1 (0.56) FFAR1CTSAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL20546229 0.92 CTSA (0.59) FFAR1CTSAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL20545379 0.92 KMT2A (0.50) FFAR1CTSAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL20546225 0.92 CTSA (0.59) FFAR1CTSAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL20545380 0.92 KMT2A (0.50) FFAR1CTSAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL20546143 0.91 FFAR1 (0.53) FFAR1CTSAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL20546144 0.91 FFAR1 (0.53) FFAR1CTSAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL20546364 0.90 FFAR1 (0.52) FFAR1CTSAKMT2ASMN1; SMN2GNA15
SCHEMBL20546367 0.90 FFAR1 (0.52) FFAR1CTSAKMT2ASMN1; SMN2GNA15
SCHEMBL20546119 0.90 CTSA (0.53) FFAR1CTSAKMT2ASMN1; SMN2MME

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 6 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
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN 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 37/4885CTSA 2240/4885KMT2A 4455/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885CTSA 2240/4885KMT2A 4455/4885

“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.