SCHEMBL669497

SCHEMBL669497

C[C@@](Cc1ccccc1)(N=C=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MMP8 P22894 4/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
RECQL P46063 2/20 0.39
CYP1A2 P05177 1/20 0.39
TRPA1 O75762 1/20 0.39
RIPK1 Q13546 2/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL135997 1.00 SMN1; SMN2 (0.46) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL344610 0.85 SMN1; SMN2 (0.39) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL503691 0.82 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL8014762 0.82 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL851632 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL18107094 0.78 SLC6A2 (0.47) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL11785888 0.78 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL8725722 0.77 SMN1; SMN2 (0.43) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL206553 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8
SCHEMBL27908890 0.75 SMN1; SMN2 (0.57) SMN1; SMN2HIF1ASLC6A2TAAR1MMP8

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-2953625-A1 NOVEL FUNCTIONALIZED 4-(PHENOXYMETHYL(-1,3-DIOXOLANE ANALOGS EXHIBITING CYTOCHROME P450 INHIBITION AND THEIR METHOD OF USE Cortendo AB (publ) (US) 2015-12-16 EP disclosed
US-20150353530-A1 NOVEL FUNCTIONALIZED 4-(PHENOXYMETHYL(-1,3-DIOXOLANE ANALOGS EXHIBITING CYTOCHROME P450 INHIBITION AND THEIR METHOD OF USE CORTENDO AB (PUBL) (US) 2015-12-10 US disclosed
WO-2014122530-A1 NOVEL FUNCTIONALIZED 4-(PHENOXYMETHYL(-1,3-DIOXOLANE ANALOGS EXHIBITING CYTOCHROME P450 INHIBITION AND THEIR METHOD OF USE CORTENDO AB (PUBL) (US) 2014-08-14 WO disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 WO disclosed
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs VERNALIS RESEARCH LIMITED (GB) 2007-07-26 US disclosed
US-6335324-B1 TREATING ASTHMA OR ALLERGIC RHINITIS BRISTOL-MYERS SQUIBB CO. 2002-01-01 US disclosed
EP-1089973-A4 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
EP-1089973-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-11 EP disclosed
WO-1999067215-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-29 WO disclosed
EP-0611776-A2 New pseudopeptides with antiviral activity BAYER AG (DE) 1994-08-24 EP 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-20150353530-A1 NOVEL FUNCTIONALIZED 4-(PHENOXYMETHYL(-1,3-DIOXOLANE ANALOGS EXHIBITING CYTOCHROME P450 INHIBITION AND THEIR METHOD OF USE CYP11B1, CYP11B2, CYP21A2 SMN1; SMN2 3722/4885HIF1A 1183/4885SLC6A2 1255/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 SMN1; SMN2 1780/4885HIF1A 1932/4885SLC6A2 587/4885

“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.