Sugi Predict

Sugi Predict / Compounds / SCHEMBL1553777

SCHEMBL1553777

SCHEMBL1553777

Cc1ccc(S(=O)(=O)OCC2CCCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ENPP3 O14638 2/20 0.45
▸ ENPP1 P22413 2/20 0.45
▸ ENPP2 Q13822 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ CD4 P01730 2/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL956080 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL5561307 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL79261 0.98 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL283868 0.95 ACHE (0.46) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL7032005 0.91 CYP2D6 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL26655167 0.91 CYP2D6 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL7166740 0.91 CYP2D6 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL26655196 0.91 CYP2D6 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL10146863 0.85 CYP2D6 (0.41) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL4569135 0.85 CYP2D6 (0.41) ALDH1A1CYP3A4TSHRENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 — — EP disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 — — US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 — — US disclosed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 — — CN disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 — — EP disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 — — EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 — — EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 — — EP disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 — — US disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 — — US disclosed
US-20050250760-A1 1-[(Indol-3-yl)carbonyl]piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2005-11-10 — — US disclosed
EP-1549637-A1 1- (INDOL-3-YL)CARBONYL PIPERAZINE DERIVATIVES Akzo Nobel N.V. (NL) 2005-07-06 — — EP disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 — — US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 — — US disclosed
WO-2004000832-A1 1-[(INDOL-3-YL)CARBONYL] PIPERAZINE DERIVATIVES AKZO NOBEL N.V. (NL) 2003-12-31 — — WO disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 — — US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 — — US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 — — EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 — — WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 — — 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-20050250760-A1 1-[(Indol-3-yl)carbonyl]piperazine derivatives IDO1, OPRL1, OPRK1 ALDH1A1 689/4885CYP3A4 3241/4885TSHR 3363/4885
US-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR ALDH1A1 375/4885CYP3A4 54/4885TSHR 460/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 ALDH1A1 2795/4885CYP3A4 727/4885TSHR 25/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 ALDH1A1 609/4885CYP3A4 358/4885TSHR 2192/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885CYP3A4 639/4885TSHR 2435/4885

“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.