SCHEMBL1122831

SCHEMBL1122831

NS(=O)(=O)Nc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.61
CA2 P00918 15/20 0.61
CA12 O43570 3/20 0.61
CA9 Q16790 3/20 0.61
KIF11 P52732 2/20 0.55
FKBP1A P62942 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL24732420 0.80 CA1 (0.53) CA1CA2FKBP1AGLAKMT2A
SCHEMBL6352180 0.78 CA1 (0.64) CA1CA2CA12CA9KIF11
SCHEMBL21033855 0.78 CA1 (0.52) CA1CA2FKBP1AGLAKMT2A
SCHEMBL5684413 0.78 CA1 (0.64) CA1CA2CA12CA9KIF11
SCHEMBL20490011 0.77 KMT2A (0.54) CA1CA2CA12CA9FKBP1A
SCHEMBL20490050 0.77 CA2 (0.53) CA1CA2CA12CA9KIF11
SCHEMBL14726352 0.76 RAB9A (0.66) CA1CA2CA12CA9CA4
SCHEMBL8519790 0.76 CA1 (1.00) CA1CA2CA12CA9KIF11
SCHEMBL1615445 0.76 ALDH1A1 (0.50) CA1CA2FKBP1AGLAKMT2A
SCHEMBL1645913 0.76 CA1 (1.00) CA1CA2CA12CA9KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4175630-A1 POLYCYCLIC AMINES FOR OPIOID RECEPTOR MODULATION Ecstasy LLC (US) 2023-05-10 EP claimed
CN-117903016-A Fluorosulfonyl sulfonimide salt, preparation method and application thereof 中国科学院上海有机化学研究所 2024-04-19 CN disclosed
CN-113087687-A Method for direct carbon-hydrogen alkynylation of thioamide-oriented aromatic hydrocarbon 宁夏大学 2021-07-09 CN disclosed
CN-111100092-A Method for direct amination of thioamide-oriented aromatic hydrocarbon carbon-hydrogen 宁夏大学 2020-05-05 CN disclosed
CN-102816170-A Novel macrocyclic inhibitors of hepatitis C virus replication INTERMUNE INC 2012-12-12 CN disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
CN-101263156-A Novel macrocyclic inhibitors of hepatitis C virus replication INTERMUNE INC (US) 2008-09-10 CN 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
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 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 (4 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-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CA1 4665/4885CA2 4474/4885CA12 4215/4885
US-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 CA1 4667/4885CA2 2852/4885CA12 4111/4885
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 CA1 4124/4885CA2 1666/4885CA12 3505/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CA1 4665/4885CA2 4474/4885CA12 4215/4885

“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.