Sugi Predict

Sugi Predict / Compounds / SCHEMBL1990490

SCHEMBL1990490

SCHEMBL1990490

O=C(O)c1ccccc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ TP53 P04637 1/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALB P02768 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CNR1 P21554 2/20 0.52
▸ FABP3 P05413 1/20 0.51
▸ FABP4 P15090 1/20 0.51
▸ FABP5 Q01469 1/20 0.51
▸ PKM P14618 2/20 0.51
▸ CCR8 P51685 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL1987895 0.86 CNR1 (0.54) ALDH1A1KDM4ENPSR1TP53MEN1
SCHEMBL29467287 0.86 CNR1 (0.51) ALDH1A1KDM4ENPSR1TP53MEN1
SCHEMBL1256021 0.86 CNR1 (0.51) ALDH1A1KDM4ENPSR1TP53MEN1
SCHEMBL11174072 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ENPSR1TP53MEN1
SCHEMBL11183077 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ENPSR1TP53MEN1
SCHEMBL22714758 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ENPSR1TP53MEN1
SCHEMBL5069997 0.85 TSHR (0.65) ALDH1A1TP53MEN1KMT2ATDP1
SCHEMBL17502107 0.83 KMT2A (0.65) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL17911197 0.83 FABP4 (0.53) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL14696892 0.82 CA1 (0.55) ALDH1A1KDM4ENPSR1TP53MEN1

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
EP-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 — — EP claimed
EP-3551634-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 — — EP claimed
WO-2018108231-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 — — WO claimed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 — — WO claimed
WO-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 — — WO disclosed
EP-3551634-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 — — EP disclosed
EP-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 — — EP disclosed
CN-109072195-A Immune effector cell therapy with enhanced efficacy 诺华股份有限公司 2018-12-21 — — CN disclosed
WO-2018108231-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 — — WO disclosed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 — — WO disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 — — EP disclosed
CN-103929960-B Substituted (E) -N' - (1-phenylethylidene) benzoyl hydrazine analogs as histone demethylase inhibitors 犹他大学研究基金会 2016-08-17 — — CN disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
EP-2516416-A1 CRTH2 MODULATORS Ironwood Pharmaceuticals, Inc. (US) 2012-10-31 — — EP disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
WO-2011079007-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-30 — — WO disclosed
US-20110150834-A1 CRTH2 MODULATORS WELLS FARGO BANK, NATIONAL ASSOCIATION 2011-06-23 — — US 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 (2 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-20110150834-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 ALDH1A1 832/4885KDM4E 4499/4885NPSR1 629/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B ALDH1A1 787/4885KDM4E 1141/4885NPSR1 265/4885

“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.