SCHEMBL339426

SCHEMBL339426

CC(=O)Nc1c(-c2ccccc2)cccc1C(C)C(=O)O.C[C@@](CN)(OC(=O)CN)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.34
HSP90AB1 P08238 4/20 0.34
CXCL8 P10145 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
MMP16 P51512 1/20 0.32
BACE1 P56817 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL339362 0.80 CXCL8 (0.46) HSP90AA1HSP90AB1CXCL8MMP1MMP2
SCHEMBL339798 0.80 CXCL8 (0.34) HSP90AA1HSP90AB1CXCL8BACE1LMNA
SCHEMBL341218 0.78 PPARA (0.38) MMP2PPARGPPARA
SCHEMBL1742568 0.74 CYP2C19 (0.46) SMN1; SMN2MAPK1
SCHEMBL340104 0.74 CYP2C19 (0.46) SMN1; SMN2MAPK1
SCHEMBL338541 0.70 MAPT (0.43) CXCL8MMP1MMP2MMP9MMP8
SCHEMBL341017 0.70 KMT2A (0.45) CXCL8MMP1MMP2MMP9MMP8
SCHEMBL341491 0.68 SOAT1 (0.46) CXCL8LMNASMN1; SMN2
SCHEMBL18061111 0.66 TAAR1 (0.51) LMNASMN1; SMN2
SCHEMBL28824675 0.65 CYP2C19 (0.44) SMN1; SMN2MAPK1

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
US-8703990-B2 Process for manufacture and resolution of 2-acylamino-3-diphenylpropanoic acid Zhejiang Jiuzhous Pharmaceutical Co., Ltd. (CN) 2014-04-22 US claimed
US-9181175-B2 Process for manufacture and resolution of 2-acylamino-3-diphenylpropanoic acid Zhejiang Jiuzhous Pharmaceutical Co., Ltd. (CN) 2015-11-10 US disclosed
EP-2387558-B1 PROCESS FOR MANUFACTURE AND RESOLUTION OF 2-ACYLAMINO-3-DIPHENYLPROPANOIC ACID ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2014-08-27 EP disclosed
US-20140179947-A1 PROCESS FOR MANUFACTURE AND RESOLUTION OF 2-ACYLAMINO-3-DIPHENYLPROPANOIC ACID ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-06-26 US disclosed
US-8703990-B2 Process for manufacture and resolution of 2-acylamino-3-diphenylpropanoic acid Zhejiang Jiuzhous Pharmaceutical Co., Ltd. (CN) 2014-04-22 US disclosed
US-20120016151-A1 PROCESS FOR MANUFACTURE AND RESOLUTION OF 2-ACYLAMINO-3-DIPHENYLPROPANOIC ACID NOVARTIS AG (CH) 2012-01-19 US disclosed
EP-2387558-A1 PROCESS FOR MANUFACTURE AND RESOLUTION OF 2-ACYLAMINO-3-DIPHENYLPROPANOIC ACID Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-11-23 EP disclosed
US-20110253230-A1 Temperature Sensitive Valve Having Shape Memory Actuator OMNITEK PARTNERS LLC (US) 2011-10-20 US disclosed
WO-2010081410-A1 PROCESS FOR MANUFACTURE AND RESOLUTION OF 2-ACYLAMINO-3-DIPHENYLPROPANOIC ACID ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2010-07-22 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 (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-20140179947-A1 PROCESS FOR MANUFACTURE AND RESOLUTION OF 2-ACYLAMINO-3-DIPHENYLPROPANOIC ACID DNPEP, MME, DPP7 HSP90AA1 4094/4885HSP90AB1 4264/4885CXCL8 4581/4885
US-20120016151-A1 PROCESS FOR MANUFACTURE AND RESOLUTION OF 2-ACYLAMINO-3-DIPHENYLPROPANOIC ACID DNPEP, MME, DPP7 HSP90AA1 4094/4885HSP90AB1 4264/4885CXCL8 4581/4885

“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.