SCHEMBL3869394

SCHEMBL3869394

C[C@H](NNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
PTGS2 P35354 3/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
HDAC3 O15379 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
IDO1 P14902 1/20 0.47
ALOX15 P16050 1/20 0.47
HDAC1 Q13547 1/20 0.47
CA9 Q16790 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL8761160 1.00 NPC1 (0.50) NPC1RAB9APTGS2CTDSP1SMN1; SMN2
SCHEMBL5394237 0.84 PTGS2 (0.67) NPC1RAB9APTGS2CTDSP1SMN1; SMN2
SCHEMBL8177990 0.81 NPC1 (0.50) NPC1RAB9APTGS2CTDSP1SMN1; SMN2
SCHEMBL698879 0.80 CA1 (0.62) RAB9ASMN1; SMN2HDAC3CA12CA1
SCHEMBL2796740 0.80 CA1 (0.62) RAB9ASMN1; SMN2HDAC3CA12CA1
SCHEMBL698880 0.80 CA1 (0.62) RAB9ASMN1; SMN2HDAC3CA12CA1
SCHEMBL8760626 0.80 NPC1 (0.50) NPC1RAB9APTGS2SMN1; SMN2KDM4E
SCHEMBL9277128 0.80 KAT6A (0.56) PTGS2SMN1; SMN2HSD17B10KMT2AKAT6A
Benmoxin SCHEMBL8759658 0.79 GPR139 (0.55) NPC1RAB9APTGS2CTDSP1SMN1; SMN2
Benmoxin SCHEMBL8760295 0.79 GPR139 (0.55) NPC1RAB9APTGS2CTDSP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US 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 (4 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-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A NPC1 2397/4885RAB9A 2103/4885PTGS2 112/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A NPC1 2397/4885RAB9A 2103/4885PTGS2 112/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 NPC1 2646/4885RAB9A 2133/4885PTGS2 59/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 NPC1 2646/4885RAB9A 2133/4885PTGS2 59/4885

“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.