Sugi Predict

Sugi Predict / Compounds / SCHEMBL1616337

SCHEMBL1616337

SCHEMBL1616337

O=S(=O)(c1ccccc1)n1[c]ccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ PARL Q9H300 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 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
SCHEMBL4825070 0.83 CA1 (0.55) ALDH1A1KMT2APKMMEN1HPGD
SCHEMBL6985985 0.69 CYP2C9 (0.43) ALDH1A1HTR6KMT2APKMLMNA
SCHEMBL6983922 0.68 GAA (0.44) ALDH1A1HTR6PKMLMNAHTT
SCHEMBL752816 0.67 CA1 (0.65) ALDH1A1HTR6KMT2APKMLMNA
SCHEMBL368482 0.67 PKM (0.44) ALDH1A1HTR6KMT2APKMLMNA
SCHEMBL7368521 0.65 ALDH1A1 (0.40) ALDH1A1HTR6KMT2APKMLMNA
SCHEMBL442392 0.64 HTR6 (0.50) ALDH1A1HTR6KMT2APKMLMNA
SCHEMBL773236 0.64 CYP2C9 (0.50) ALDH1A1HTR6KMT2APKMLMNA
SCHEMBL7122592 0.63 POLB (0.80) ALDH1A1PKMLMNATSHRCYP2C9
SCHEMBL3830424 0.63 POLB (0.80) ALDH1A1PKMLMNATSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 — — US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 — — US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 — — EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 — — US claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 — — US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 — — US claimed
EP-2592934-B1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS NIVALIS THERAPEUTICS INC (US) 2015-08-26 — — EP claimed
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-04-16 — — US claimed
EP-2852586-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2015-04-01 — — EP claimed
WO-2015042111-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2015-03-26 — — WO claimed
WO-2013138617-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 — — WO claimed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 — — US claimed
JP-2007505920-A — — 2007-03-15 — — JP claimed
EP-1663958-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 — — EP claimed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 — — US claimed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 — — WO claimed
US-20020086895-A1 Methods of treating fungal infections CHU WAI-LAM ALEX (US) 2002-07-04 — — US claimed
EP-1005338-A4 SUBSTITUTED AURONE DERIVATIVES PHYTERA INC (US) 2001-11-07 — — EP claimed
EP-1005338-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 2000-06-07 — — EP claimed
WO-1999004789-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 1999-02-04 — — WO claimed

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-20020086895-A1 Methods of treating fungal infections COXFA4L2, DPM1, ERG28 ALDH1A1 1149/4885HTR6 4478/4885KMT2A 2788/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ALDH1A1 1676/4885HTR6 3335/4885KMT2A 3524/4885
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE ALDH1A1 1944/4885HTR6 3486/4885KMT2A 4029/4885
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ALDH1A1 2629/4885HTR6 4000/4885KMT2A 2811/4885

“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.