SCHEMBL564004

SCHEMBL564004

NC(=O)c1ccc[nH]c1=S=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ METAP2 P50579 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CSNK1A1 P48729 2/20 0.40
▸ DYRK1B Q9Y463 2/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 1/20 0.38

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
SCHEMBL9936824 0.80 GAA (0.68) PDPK1MAPTKDM4EGAAMETAP2
SCHEMBL82637 0.74 NAPRT (0.67) PDPK1MAPTKDM4EGAAMETAP2
SCHEMBL11628825 0.72 PDPK1 (0.47) PDPK1MAPTKDM4EGAAMETAP2
Hydrochloric Acid SCHEMBL30935942 0.72 NAPRT (0.64) PDPK1MAPTKDM4EGAAMETAP2
SCHEMBL4783577 0.70 — —
Anthranilamide SCHEMBL5170575 0.69 AURKA (0.55) PDPK1MAPTKDM4EGAAMETAP2
SCHEMBL6630364 0.68 SIRT1 (0.57) PDPK1MAPTKDM4EGAAMETAP2
SCHEMBL31120424 0.68 CSNK1A1 (0.54) PDPK1MAPTKDM4EGAAMETAP2
SCHEMBL5139889 0.68 CSNK1A1 (0.54) PDPK1MAPTKDM4EGAAMETAP2
Formic Acid SCHEMBL30227578 0.68 NAPRT (0.58) PDPK1MAPTKDM4EGAAMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534278-A4 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-09-06 — — EP claimed
JP-2005539013-A — — 2005-12-22 — — JP claimed
EP-1534278-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-01 — — EP claimed
EP-1154771-A4 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-04-20 — — EP claimed
US-6852739-B1 Methods using proton pump inhibitors and nitric oxide donors NITROMED INC. (US) 2005-02-08 — — US claimed
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-12-30 — — US claimed
WO-2004012659-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-12 — — WO claimed
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-02-05 — — US claimed
JP-2002537336-A — — 2002-11-05 — — JP claimed
EP-1154771-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-11-21 — — EP claimed
WO-2000050037-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-08-31 — — WO claimed
JP-8176113-A — — None — — JP disclosed
US-9085508-B2 Nitric oxide releasing amino acid ester compound, composition and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 — — US disclosed
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 — — US disclosed
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE FARBER MICHAEL (US) 2014-02-27 — — US disclosed
WO-2004024186-A2 TREATMENT OF CYCLOOXYGENASE-3 MEDIATED DISEASES AND DISORDERS NITROMED, INC. (US) 2004-03-25 — — WO disclosed
WO-2004012659-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-12 — — WO disclosed
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-02-05 — — US disclosed
WO-1997032854-A1 2-SULFINYLNICOTINAMIDE DERIVATIVES, INTERMEDIATE THEREOF, PROCESS FOR PRODUCING 2-SULFINYLNICOTINAMIDE DERIVATIVES, AND MEDICINAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-09-12 — — WO disclosed
JP-H08176113-A 2-SULFINYLNICOTINAMIDE DERIVATIVE, ITS INTERMEDIATE AND CURING AGENT FOR PEPTIC ULCER USING THE DERIVATIVE AS ACTIVE COMPONENT DAINIPPON PHARMACEUT CO LTD 1996-07-09 — — JP 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 (3 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-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NOS1, PTGS1, NOS2 PDPK1 1483/4885MAPT 4520/4885KDM4E 3767/4885
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NOS2, NOS1, PTGS2 PDPK1 2330/4885MAPT 4588/4885KDM4E 3035/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 PDPK1 4589/4885MAPT 3788/4885KDM4E 2671/4885

“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.

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