SCHEMBL2944289

SCHEMBL2944289

N[C@@H](C(=O)NCCS(=O)(=O)O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
SRC P12931 1/20 0.39
ENPEP Q07075 4/20 0.38
CYP2D6 P10635 1/20 0.36
MMP2 P08253 1/20 0.34

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
SCHEMBL27538428 1.00 CNR1 (0.41) CNR1CNR2CA2CA12CA1
SCHEMBL5225484 0.86 CNR1 (0.44) CNR1CNR2
Ammonia Solution, Strong SCHEMBL5224597 0.85 CNR1 (0.43) CNR1CNR2
SCHEMBL10144788 0.81 CNR1 (0.45) CNR1CNR2
Hydrochloric Acid SCHEMBL11492383 0.80 CNR1 (0.44) CNR1CNR2
Hydrochloric Acid SCHEMBL11490445 0.80 CNR1 (0.44) CNR1CNR2MMP2
SCHEMBL13944848 0.78 NAAA (0.47) CNR1CNR2
SCHEMBL2942452 0.76 CNR1 (0.37) CNR1CNR2SRCENPEP
SCHEMBL2942451 0.76 CNR1 (0.37) CNR1CNR2SRCENPEP
SCHEMBL11480826 0.76 HPGD (0.46) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804431-B9 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2003-01-02 EP claimed
EP-0804431-B1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2002-07-24 EP claimed
EP-1427423-B9 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2017-12-20 EP disclosed
EP-2182088-B1 Atomic layer deposition using metal amidinates HARVARD COLLEGE (US) 2013-07-17 EP disclosed
US-8455672-B2 Atomic layer deposition using metal amidinates PRESIDENT AND FELLOWS OF HARVARD (US) 2013-06-04 US disclosed
EP-2032529-B1 METAL(IV) TETRA-AMIDINATE COMPOUNDS AND THEIR USE IN VAPOR DEPOSITION HARVARD COLLEGE (US) 2012-10-17 EP disclosed
US-7737290-B2 Atomic layer deposition using metal amidinates PRESIDENT AND FELLOWS OF HARVARD UNIVERSITY (US) 2010-06-15 US disclosed
EP-2182088-A1 Atomic layer deposition using metal amidinates President and Fellows of Harvard College (US) 2010-05-05 EP disclosed
US-20100092667-A1 ATOMIC LAYER DEPOSITION USING METAL AMIDINATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-15 US disclosed
EP-1563117-B1 ATOMIC LAYER DEPOSITION USING METAL AMIDINATES HARVARD COLLEGE (US) 2010-01-06 EP disclosed
EP-1427713-B1 BENZOTHIAZEPINE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDEMIA ALBIREO AB (SE) 2010-01-06 EP disclosed
EP-1427713-A1 BENZOTHIAZEPINE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDEMIA Astrazeneca AB (SE) 2004-06-16 EP disclosed
WO-2004046417-A2 ATOMIC LAYER DEPOSITION USING METAL AMIDINATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-06-03 WO disclosed
US-20040067933-A1 Chemical compounds ELOBIX AB (SE) 2004-04-08 US disclosed
CN-1481373-A 1,5-benzothiazepines compounds and its use as antilipemic agent 2004-03-10 CN disclosed
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2003022825-A1 BENZOTHIAZEPINE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDEMIA ASTRAZENECA AB (SE) 2003-03-20 WO disclosed
WO-2003022830-A1 BENZOTHIEPINE ILEAL BILE ACID TRANSPORT INHIBITORS ASTRAZENECA AB (SE) 2003-03-20 WO disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 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-20100092667-A1 ATOMIC LAYER DEPOSITION USING METAL AMIDINATES NIT2, SLC9B2, NOS2 CNR1 4549/4885CNR2 3995/4885CA2 377/4885
US-20040067933-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 CNR1 2016/4885CNR2 2161/4885CA2 706/4885

“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.