SCHEMBL3324634

SCHEMBL3324634

NS(=O)(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
IDO1 P14902 5/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 2/20 0.43
GGPS1 O95749 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL1625791 0.83 IDO1 (0.54) ERCC1ERCC4IDO1CYP1A2CYP3A4
SCHEMBL271766 0.82 IDO1 (0.52) ERCC1ERCC4IDO1CYP1A2CYP3A4
SCHEMBL3327263 0.81 CA12 (0.46) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL3238785 0.81 PSEN1 (0.42) ERCC1ERCC4CA12CA1CA2
SCHEMBL1441740 0.81 CA2 (0.36) ERCC1ERCC4IDO1CYP1A2CYP3A4
SCHEMBL6011808 0.80 IDO1 (0.50) ERCC1ERCC4IDO1CYP1A2CYP3A4
SCHEMBL3672833 0.80 ERCC1 (0.51) ERCC1ERCC4IDO1CYP1A2CYP3A4
SCHEMBL5615558 0.80 IDO1 (0.50) ERCC1ERCC4IDO1CYP1A2CYP3A4
SCHEMBL5615559 0.78 ERCC1 (0.50) ERCC1ERCC4IDO1CYP1A2CYP3A4
SCHEMBL6076719 0.78 HIF1A (0.59) ERCC1ERCC4IDO1CYP3A4CYP2C9

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-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-1994018165-A1 SULFONAMIDE COMPOUNDS AS OPIOID K-RECEPTOR AGONISTS PFIZER INC. (US) 1994-08-18 WO disclosed
EP-0258391-A1 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE POULENC NEDERLAND B.V. (NL) 1988-03-09 EP disclosed
WO-1987004321-A2 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE-POULENC NEDERLANDS B.V. (NL) 1987-07-30 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 (6 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 ERCC1 3417/4885ERCC4 2651/4885IDO1 2299/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 ERCC1 3075/4885ERCC4 2425/4885IDO1 2043/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 ERCC1 3484/4885ERCC4 2880/4885IDO1 2369/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 ERCC1 2221/4885ERCC4 2763/4885IDO1 3483/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 ERCC1 2827/4885ERCC4 2255/4885IDO1 3058/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 ERCC1 2999/4885ERCC4 2613/4885IDO1 1896/4885

“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.