SCHEMBL8301760

SCHEMBL8301760

CN[C@@H](Cc1cccs1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.54
RAB9A P51151 7/20 0.51
CTSC P53634 3/20 0.47
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 5/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14048129 1.00 CYP2C19 (0.54) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL12220083 1.00 CYP2C19 (0.54) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL14019361 0.87 CYP2C19 (0.64) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL8188457 0.87 CYP2C19 (0.64) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL15075357 0.85 CYP2C19 (0.53) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL25721680 0.85 RAB9A (0.54) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL10442142 0.85 CYP2C19 (0.53) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL13494842 0.85 CYP2C19 (0.53) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL6321195 0.85 CYP2C19 (0.53) CYP2C19RAB9ACTSCCTSSCTSK
SCHEMBL19790141 0.84 RAB9A (0.52) CYP2C19RAB9ACTSCCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 US disclosed
US-20150265733-A1 BOMBESIN ANALOG PEPTIDE ANTAGONIST CONJUGATES Universität Bern (CH) 2015-09-24 US disclosed
US-20150265733-A1 BOMBESIN ANALOG PEPTIDE ANTAGONIST CONJUGATES Universität Bern (CH) 2015-09-24 US disclosed
US-9035023-B2 Bombesin analog peptide antagonist conjugates Piramal Imaging, SA (CH) 2015-05-19 US disclosed
US-9035023-B2 Bombesin analog peptide antagonist conjugates Piramal Imaging, SA (CH) 2015-05-19 US disclosed
US-20110097266-A1 Bombesin Analog Peptide Antagonist Conjugates BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 US disclosed
US-20110097266-A1 Bombesin Analog Peptide Antagonist Conjugates BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 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 (5 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-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR CYP2C19 3462/4885RAB9A 1788/4885CTSC 18/4885
US-20110097266-A1 Bombesin Analog Peptide Antagonist Conjugates BRS3, VIP, GRPR CYP2C19 2611/4885RAB9A 2580/4885CTSC 76/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR CYP2C19 3462/4885RAB9A 1788/4885CTSC 18/4885
US-20150265733-A1 BOMBESIN ANALOG PEPTIDE ANTAGONIST CONJUGATES BRS3, VIP, GRPR CYP2C19 2299/4885RAB9A 2403/4885CTSC 58/4885
US-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 CYP2C19 4735/4885RAB9A 3024/4885CTSC 26/4885

“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.