Sugi Predict

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SCHEMBL1970651

SCHEMBL1970651

CC(C)(C)OC(=O)N1CCC(C(=O)NS(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 10/20 1.00
▸ PTPN2 P17706 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ PTPN6 P29350 1/20 0.53
▸ PTPRB P23467 1/20 0.52
▸ PTPN11 Q06124 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ GPR119 Q8TDV5 2/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL22089505 0.95 STS (0.90) STSPTPN2PTPN1PTPN6PTPRB
SCHEMBL28418216 0.95 STS (0.90) STSPTPN2PTPN1PTPN6PTPRB
SCHEMBL3328561 0.90 STS (0.81) STSPTPRBPTPN11KDM4EPKM
SCHEMBL28422820 0.89 STS (0.80) STSPTPN2PTPN1PTPN6GPR119
SCHEMBL22089512 0.89 STS (0.80) STSPTPN2PTPN1PTPN6PTPRB
SCHEMBL22115706 0.87 STS (0.77) STSPTPN2PTPN1PTPN6GPR119
SCHEMBL22089514 0.87 STS (0.77) STSPTPN2PTPN1PTPN6PTPRB
SCHEMBL22089534 0.84 STS (1.00) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL3222306 0.84 STS (0.72) STS
SCHEMBL3937314 0.83 STS (0.71) STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303146-A 3-cyanopyridine compound, pharmaceutical composition containing same, preparation method and application thereof 中国科学院上海药物研究所 2020-06-19 — — CN disclosed
WO-2020119590-A1 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. 中国科学院上海药物研究所 2020-06-18 — — WO disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 — — US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 — — EP disclosed
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
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 — — WO 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-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 — — 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-2008085118-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
US-20080027104-A1 Novel Crystalline Forms 2 ASTRAZENECA AB (SE) 2008-01-31 — — 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

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-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 STS 2504/4885PTPN2 632/4885PTPN1 626/4885
US-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 STS 2088/4885PTPN2 445/4885PTPN1 411/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 STS 2526/4885PTPN2 460/4885PTPN1 420/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 STS 2643/4885PTPN2 526/4885PTPN1 486/4885
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 STS 1359/4885PTPN2 2842/4885PTPN1 1657/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 STS 2548/4885PTPN2 152/4885PTPN1 138/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 STS 3011/4885PTPN2 281/4885PTPN1 247/4885

“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.