Sugi Predict

Sugi Predict / Compounds / SCHEMBL535964

SCHEMBL535964

SCHEMBL535964

C[S+]([O-])c1ccccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TRIM24 O15164 2/20 0.41
▸ TRIM33 Q9UPN9 2/20 0.41
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ERN1 O75460 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ IMPDH2 P12268 1/20 0.33

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
SCHEMBL5793825 0.78 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL4869984 0.78 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL9220820 0.78 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL7323549 0.75 — —
SCHEMBL7323551 0.75 — —
Dimethyl Sulfoxide SCHEMBL28860250 0.74 ALDH1A1 (0.78) LMNAKMT2AMEN1THRBBLM
SCHEMBL6077141 0.72 ALDH1A1 (0.40) TDP1ALDH1A1TRIM24TRIM33ERN1
SCHEMBL7641571 0.71 TDP1 (0.38) LMNAKMT2AMEN1THRBBLM
SCHEMBL2665742 0.70 ALDH1A1 (0.43) LMNAKMT2AMEN1BLMTDP1
SCHEMBL17288985 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588787-A Arylformyl group-containing 1,2,3-triazole ligand, and preparation method and application thereof 昆明理工大学 2017-04-26 — — CN claimed
CN-106588787-B A kind of application of the triazole of 1,2,3- containing sweet-smelling formacyl ligand 昆明理工大学 2019-09-27 — — CN disclosed
CN-106588787-A Arylformyl group-containing 1,2,3-triazole ligand, and preparation method and application thereof 昆明理工大学 2017-04-26 — — CN disclosed
CN-103819371-B A kind of synthetic method to methylsulfonyl benzaldehyde DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2016-05-04 — — CN disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 — — US disclosed
CN-102046575-B Therapeutic agent for alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-10-29 — — CN disclosed
CN-103819371-A Method for synthesizing P-methylsulfonyl benzaldehyde DALIAN CHEMICAL PHYSICS INST 2014-05-28 — — CN disclosed
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 — — US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 — — US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 — — EP disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 — — EP disclosed
WO-2008130021-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 — — WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 — — US disclosed
CN-1187323-C Process for producing alkylsulfonylbenzaldehyde SUMITOMO SEIKA CHEMICALS (JP) 2005-02-02 — — CN disclosed
CN-1321146-A Process for producing alkylsulfonylbenzaldehyde SUMITOMO SEIKA CHEMICALS (JP) 2001-11-07 — — CN disclosed
EP-0010130-B1 SILA-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1981-12-23 — — EP disclosed
US-4237137-A Sila-substituted 1,4-dihydropyridine derivatives and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 — — US disclosed
EP-0010130-A1 Sila-substituted 1,4-dihydropyridine derivatives, processes for their preparation, pharmaceutical compositions and process for their preparation BAYER AG (DE) 1980-04-30 — — EP disclosed
US-3933834-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 — — 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 (1 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 LMNA 4234/4885KMT2A 4113/4885MEN1 1588/4885

“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.