SCHEMBL17825296

SCHEMBL17825296

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(Br)cc2)C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.46
MME P08473 3/20 0.43
ACE P12821 3/20 0.43
ACE2 Q9BYF1 2/20 0.43
KMT2A Q03164 1/20 0.43
ITGB1 P05556 4/20 0.43
ITGA4 P13612 4/20 0.43
KIFC1 Q9BW19 2/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CPA1 P15085 1/20 0.40

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
SCHEMBL17825293 1.00 FPR2 (0.46) FPR2MMEACEACE2KMT2A
SCHEMBL28547454 0.90 CA1 (0.51) MMEACEACE2KMT2AITGB1
SCHEMBL15018831 0.90 CA1 (0.51) MMEACEACE2KMT2AITGB1
SCHEMBL17968786 0.89 MME (0.47) MMEACECTSSCTSKALDH1A1
SCHEMBL17834705 0.86 CTSS (0.47) KMT2ACTSSCTSKALDH1A1NPC1
SCHEMBL22384302 0.86 CTSS (0.47) KMT2ACTSSCTSKALDH1A1NPC1
SCHEMBL15019919 0.86 MME (0.42) MMEACEACE2ITGB1ITGA4
SCHEMBL15019922 0.86 MME (0.42) MMEACEACE2ITGB1ITGA4
SCHEMBL17825489 0.85 ALDH1A1 (0.38) FPR2MMEACEKMT2AKIFC1
SCHEMBL22384235 0.84 MCL1 (0.44) ITGA4CTSSCTSKNPC1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263826-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A DSM Austria GmbH (AT) 2023-10-25 EP disclosed
WO-2022129517-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A ERBER AKTIENGESELLSCHAFT (AT) 2022-06-23 WO disclosed
CN-114645037-A Means and methods for detoxification of ochratoxin A 艾尔柏股份公司 2022-06-21 CN disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 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 (3 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R FPR2 492/4885MME 796/4885ACE 3137/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R FPR2 492/4885MME 796/4885ACE 3137/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR FPR2 499/4885MME 919/4885ACE 2924/4885

“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.