SCHEMBL20545501

SCHEMBL20545501

Cc1cccc(C)c1-c1cccc([C@@H](N)CC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.51
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSA P10619 6/20 0.44

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
SCHEMBL20545503 1.00 FFAR1 (0.51) FFAR1KMT2ASMN1; SMN2CTSA
Hydrochloric Acid SCHEMBL28510787 0.98 FFAR1 (0.50) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL21459622 0.90 KMT2A (0.45) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL21459626 0.90 KMT2A (0.45) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL20545547 0.87 CTSA (0.59) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL20545545 0.87 CTSA (0.59) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL20546629 0.87 KMT2A (0.49) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL20546627 0.87 KMT2A (0.49) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL20546476 0.86 CTSA (0.60) FFAR1KMT2ASMN1; SMN2CTSA
SCHEMBL20546384 0.85 FFAR1 (0.44) FFAR1KMT2ASMN1; SMN2CTSA

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
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
EP-3773573-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) Morphic Therapeutic, Inc. (US) 2021-02-17 EP disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO 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 (6 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 37/4885KMT2A 4455/4885SMN1; SMN2 2021/4885
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 FFAR1 2643/4885KMT2A 4210/4885SMN1; SMN2 2490/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 FFAR1 2655/4885KMT2A 4095/4885SMN1; SMN2 2406/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 FFAR1 2643/4885KMT2A 4210/4885SMN1; SMN2 2490/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 FFAR1 2927/4885KMT2A 3945/4885SMN1; SMN2 1921/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885KMT2A 4455/4885SMN1; SMN2 2021/4885

“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.