Sugi Predict

Sugi Predict / Compounds / SCHEMBL1014634

SCHEMBL1014634

SCHEMBL1014634

CN(C)S(=O)(=O)c1ccccc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ HTT P42858 1/20 1.00
▸ NR1H3 Q13133 1/20 0.52
▸ POLB P06746 3/20 0.49
▸ HSD11B1 P28845 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ KAT6A Q92794 1/20 0.42
▸ SLC22A12 Q96S37 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.40
▸ SLC40A1 Q9NP59 1/20 0.39

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
SCHEMBL5002905 0.84 ALDH1A1 (0.72) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL6186200 0.80 HTT (0.66) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL4029806 0.79 ALDH1A1 (0.64) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL5006633 0.79 ALDH1A1 (0.64) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL514821 0.78 ALDH1A1 (0.63) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL8514629 0.77 ALDH1A1 (0.62) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL30468568 0.77 ALDH1A1 (0.62) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL3957305 0.76 HTT (0.60) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL4520419 0.75 ALDH1A1 (0.60) ALDH1A1HTTNR1H3POLBHSD11B1
SCHEMBL2047783 0.75 ALDH1A1 (0.60) ALDH1A1HTTNR1H3POLBHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 — — EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 — — EP disclosed
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 — — EP disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
US-8481569-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-09 — — US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 — — US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 — — US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 — — US disclosed
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — WO disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 — — US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 — — US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — US disclosed
US-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 — — US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 — — US disclosed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 — — WO disclosed
WO-1995018126-A1 FURYLTHIAZOLE AND THEIR USE AS H2-RECEPTOR ANTAGONISM AND ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 — — 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 (5 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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS ALDH1A1 633/4885HTT 4125/4885NR1H3 1072/4885
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B ALDH1A1 2656/4885HTT 1090/4885NR1H3 2647/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 ALDH1A1 2495/4885HTT 935/4885NR1H3 2508/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 ALDH1A1 2963/4885HTT 3772/4885NR1H3 2435/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885HTT 2576/4885NR1H3 2301/4885

“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.