SCHEMBL20545826

SCHEMBL20545826

NC(CC(=O)O)c1ccc(OCC(F)(F)F)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 5/20 0.37
S1PR1 P21453 2/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL20545707 0.84 GAA (0.42) KMT2ASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL14408318 0.82 ALDH1A1 (0.47) PKMKMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL29219670 0.78 KMT2A (0.40) PKMKMT2ASMN1; SMN2CYP2C9GAA
SCHEMBL14580262 0.76 KMT2A (0.46) KMT2ASMN1; SMN2CYP1A2CYP2C9MEN1
SCHEMBL12015783 0.75 NPC1 (0.48) KMT2ASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL16563926 0.72 PDE2A (0.57) KMT2ASMN1; SMN2FFAR1
SCHEMBL21459367 0.72 KMT2A (0.43) KMT2ASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL31303263 0.72 KMT2A (0.43) KMT2ASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL28205017 0.72 KMT2A (0.43) KMT2ASMN1; SMN2CYP1A2CYP2C9MEN1
SCHEMBL26921290 0.70 ALDH1A1 (0.46) PKMKDM4ECYP1A2ALDH1A1GAA

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 7 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
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN 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 PKM 1098/4885KMT2A 4455/4885SMN1; SMN2 2021/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 PKM 1098/4885KMT2A 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.