SCHEMBL807648

SCHEMBL807648

COCCNC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.49
CTSK P43235 4/20 0.49
HPGD P15428 5/20 0.44
TSHR P16473 1/20 0.44
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
GLA P06280 1/20 0.41
CTSL P07711 2/20 0.40
AKT1 P31749 1/20 0.40
CTSB P07858 1/20 0.40
IDO1 P14902 1/20 0.38
GPR88 Q9GZN0 1/20 0.38

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
SCHEMBL15226501 0.84 HPGD (0.48) HPGDTSHROPRM1OPRL1GLA
SCHEMBL807378 0.84 CTSS (0.47) CTSSCTSKHPGDGLACTSL
SCHEMBL5575572 0.81 CTSS (0.46) CTSSCTSKCTSLCTSB
SCHEMBL23886560 0.79 CTSS (0.49) CTSSCTSKCTSLCTSBIDO1
SCHEMBL30370947 0.79 CTSS (0.49) CTSSCTSKCTSLCTSBIDO1
SCHEMBL798297 0.79 CTSS (0.49) CTSSCTSKCTSLCTSBIDO1
SCHEMBL10129489 0.77 CTSS (0.43) CTSSCTSKCTSLCTSB
SCHEMBL807805 0.75 HPGD (0.51) HPGDTSHROPRM1OPRL1GLA
SCHEMBL5556547 0.74 CTSS (0.71) CTSSCTSKCTSLAKT1CTSB
Hydrochloric Acid SCHEMBL793710 0.74 HPGD (0.50) HPGDTSHROPRM1OPRL1GLA

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-2616448-B1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-20 EP disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
US-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
WO-2012035075-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-22 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 (1 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-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF AADAC, NAT1, DNPEP CTSS 1648/4885CTSK 2128/4885HPGD 474/4885

“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.