SCHEMBL346996

SCHEMBL346996

CC1(C)OC[C@@H](C(O)C(=O)O)O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CA2 P00918 2/20 0.31
IDUA P35475 1/20 0.31
GUSB P08236 1/20 0.31

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
SCHEMBL8169843 1.00 HCRTR1 (0.35) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL18302566 1.00 HCRTR1 (0.35) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL346997 1.00 HCRTR1 (0.35) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL18682065 1.00 HCRTR1 (0.35) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL345860 1.00 HCRTR1 (0.35) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL25387433 1.00 HCRTR1 (0.35) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL9332338 0.98 HCRTR1 (0.35) HCRTR1HCRTR2TMEM97SIGMAR1CA2
SCHEMBL5042482 0.98 HCRTR1 (0.35) HCRTR1HCRTR2TMEM97SIGMAR1CA2
Water SCHEMBL10648449 0.96 HCRTR1 (0.34) HCRTR1HCRTR2TMEM97SIGMAR1
SCHEMBL14793014 0.86 HCRTR1 (0.33) HCRTR1HCRTR2CA2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 US disclosed
EP-3255043-B1 N-(6-((2R,3S)-3,4-DIHYDROXYBUTAN-2-YLOXY)-2-(4-FLUOROBENZYLTHIO)PYRIMIDIN-4-YL)-3- METHYLAZETIDINE-1-SULFONAMIDE AS CHEMOKINE RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2021-01-20 EP disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 US disclosed
CN-111148739-A Cyclopeptide antibiotics 豪夫迈·罗氏有限公司 2020-05-12 CN disclosed
US-9975881-B2 Compound ASTRAZENECA AB (SE) 2018-05-22 US disclosed
EP-3141235-A1 N-(6-((2R,3S)-3,4-DIHYDROXYBUTAN-2-YLOXY)-2-(4-FLUOROBENZYLTHIO)PYRIMIDIN-4-YL)-3-METHYLAZETIDINE-L -SULFONAMIDE IP Gesellschaft für Management mbH (DE) 2017-03-15 EP disclosed
EP-2740458-B1 Packaging comprising forms of sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide IP GES FÜR MAN MBH (DE) 2016-08-03 EP disclosed
US-20160108023-A1 Novel Compound ASTRAZENECA AB (SE) 2016-04-21 US disclosed
US-9221782-B2 Compound ASTRAZENECA AB (SE) 2015-12-29 US disclosed
US-20140235606-A1 CRYSTALLINE FORMS OF N-[2-[[(2,3-DIFLUOROPHENYL)METHYL]THIO]-6--4-PYRIMIDINYL]-1-AZETIDINESULFONAMIDE ASTRAZENECA AB (SE) 2014-08-21 US disclosed
EP-2593448-A1 NEW CRISTALLINE FORMS OF N-[2-[[(2,3-DIFLUOROPHENY)METHYL)THIO]-6-{[(1R,2S)-2,3- DIHYDROXY-1-METHYLPROPYL]OXY}-4-PYRIMIDINYL]-1-AZETIDINESULFONAMIDE AstraZeneca AB (SE) 2013-05-22 EP disclosed
US-20130040926-A1 NOVEL COMPOUND ASTRAZENECA UK LIMITED 2013-02-14 US disclosed
WO-2013008002-A1 N- (6- ( (2R,3S) -3,4-DIHYDROXYBUTAN-2-YLOXY) -2- (4 - FLUOROBENZYLTHIO) PYRIMIDIN- 4 - YL) -3- METHYLAZETIDINE- 1 - SULFONAMIDE AS CHEMOKINE RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2013-01-17 WO disclosed
US-20120015927-A1 CRYSTALLINE FORMS OF N-[2-[[(2,3-DIFLUOROPHENYL)METHYL]THIO]-6--4-PYRIMIDINYL]-1-AZETIDINESULFONAMIDE ASTRAZENECA AB (SE) 2012-01-19 US disclosed
WO-2012007748-A1 NEW CRYSTALLINE FORMS OF N-[2-[[(2,3-DIFLUOROPHENY)METHYL)THIO]-6-{[(1R,2S)-2,3-DIHYDROXY-1- METHYLPROPYL]OXY}-4-PYRIMIDINYL]-1-AZETIDINESULFONAMIDE ASTRAZENECA AB (SE) 2012-01-19 WO disclosed
US-7361775-B2 Process for the preparation of (S)-glyceraldehyde acetonide DSM IP ASSETS B.V. (NL) 2008-04-22 US disclosed
US-7361775-B2 Process for the preparation of (S)-glyceraldehyde acetonide DSM IP ASSETS B.V. (NL) 2008-04-22 US disclosed
EP-1673364-B1 PROCESS FOR THE PREPARATION OF (S)-GLYCERALDEHYDE ACETONIDE DSM IP ASSETS BV (NL) 2007-08-22 EP disclosed
US-20070073068-A1 Process for the preparation of (s)-glyceraldehyde acetonide DSM IP ASSETS B.V. (NL) 2007-03-29 US disclosed
US-20070073068-A1 Process for the preparation of (s)-glyceraldehyde acetonide DSM IP ASSETS B.V. (NL) 2007-03-29 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 (7 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP HCRTR1 4581/4885HCRTR2 4650/4885TMEM97 2176/4885
US-20130040926-A1 NOVEL COMPOUND CXCR2, CXCR1, CCR5 HCRTR1 645/4885HCRTR2 689/4885TMEM97 447/4885
US-20160108023-A1 Novel Compound CXCR2, CXCR1, CCR5 HCRTR1 645/4885HCRTR2 689/4885TMEM97 447/4885
US-20070073068-A1 Process for the preparation of (s)-glyceraldehyde acetonide AKR1C3, AK1, GAPDH HCRTR1 1773/4885HCRTR2 2660/4885TMEM97 4333/4885
US-20120015927-A1 CRYSTALLINE FORMS OF N-[2-[[(2,3-DIFLUOROPHENYL)METHYL]THIO]-6--4-PYRIMIDINYL]-1-AZETIDINESULFONAMIDE CXCR1, CXCR2, CCR2 HCRTR1 337/4885HCRTR2 339/4885TMEM97 139/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP HCRTR1 4581/4885HCRTR2 4650/4885TMEM97 2176/4885
US-20140235606-A1 CRYSTALLINE FORMS OF N-[2-[[(2,3-DIFLUOROPHENYL)METHYL]THIO]-6--4-PYRIMIDINYL]-1-AZETIDINESULFONAMIDE CXCR1, CXCR2, CCR2 HCRTR1 318/4885HCRTR2 313/4885TMEM97 137/4885

“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.