SCHEMBL2567392

SCHEMBL2567392

CNC(=O)C(N)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
CTSC P53634 2/20 0.52
LNPEP Q9UIQ6 3/20 0.52
ERAP2 Q6P179 2/20 0.52
METAP2 P50579 2/20 0.50
METAP1 P53582 2/20 0.50
ANPEP P15144 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
MMP14 P50281 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2567389 1.00 TSHR (0.54) TSHRCTSCLNPEPERAP2METAP2
SCHEMBL6247713 1.00 TSHR (0.54) TSHRCTSCLNPEPERAP2METAP2
Hydrochloric Acid SCHEMBL27559888 0.98 TSHR (0.53) TSHRCTSCLNPEPERAP2METAP2
Hydrochloric Acid SCHEMBL6898149 0.98 TSHR (0.53) TSHRCTSCLNPEPERAP2METAP2
SCHEMBL24814200 0.90 GRIK1 (0.55) TSHRMMP1MMP2MMP3MMP9
SCHEMBL20438810 0.90 GRIK1 (0.55) TSHRMMP1MMP2MMP3MMP9
SCHEMBL15143051 0.85 LTA4H (0.56) LNPEPERAP2SMN1; SMN2NPC1RAB9A
SCHEMBL14022951 0.84 TSHR (0.51) TSHRCTSCLNPEPERAP2METAP2
SCHEMBL8848708 0.84 TSHR (0.65) TSHRCTSCLNPEPERAP2METAP2
SCHEMBL18661110 0.83 LNPEP (0.60) TSHRCTSCLNPEPERAP2METAP2

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-2560969-B1 4-(5-ISOXAZOLYL OR 5-PYRRAZOLYL-1,2,4-OXADIAZOL-3-YL)-MANDELIC ACID AMIDES AS SPHINGOSIN-1-PHOSPHATE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
EP-2560969-A1 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2013-02-27 EP disclosed
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-02-21 US disclosed
WO-2011133734-A1 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 WO disclosed
EP-1931624-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS Serentis Limited (GB) 2008-06-18 EP disclosed
WO-2007025999-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS SERENTIS LIMITED (GB) 2007-03-08 WO disclosed
US-20070049518-A1 Novel method of treatment of inflammatory skin conditions SERENTIS LIMITED (GB) 2007-03-01 US disclosed
WO-2005040095-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV ASTRAZENECA AB (SE) 2005-05-06 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-20070049518-A1 Novel method of treatment of inflammatory skin conditions MMP8, CUTA, MMP1 TSHR 3980/4885CTSC 411/4885LNPEP 215/4885
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 TSHR 484/4885CTSC 1558/4885LNPEP 4046/4885

“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.