Sugi Predict

Sugi Predict / Compounds / SCHEMBL956080

SCHEMBL956080

SCHEMBL956080

Cc1ccc(S(=O)(=O)OCC2CCCCC2)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
SCHEMBL1553777 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 — — US disclosed
US-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS INSERM - INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2022-12-08 — — US disclosed
EP-4010341-A1 TRKB POSITIVE ALLOSTERIC MODULATORS Université de Strasbourg (FR) 2022-06-15 — — EP disclosed
CN-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 — — CN disclosed
WO-2021023858-A1 TrkB POSITIVE ALLOSTERIC MODULATORS UNIVERSITÉ DE STRASBOURG (FR) 2021-02-11 — — WO disclosed
US-9925177-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2018-03-27 — — US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 — — US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 — — US disclosed
US-20160243100-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2016-08-25 — — US disclosed
CN-1313854-A Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2001-09-19 — — CN disclosed
EP-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 — — EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 — — WO disclosed
WO-2000061563-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 — — WO disclosed
EP-0643035-B1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE KAO CORP (JP) 1999-09-01 — — EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 — — US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 — — EP disclosed
US-5646184-A SEBACEOUS SECRETION INHIBITORY ACTIVITY KAO CORPORATION (JP) 1997-07-08 — — US disclosed
EP-0643035-A1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE Kao Corporation (JP) 1995-03-15 — — EP disclosed
EP-0107116-A1 Dicyanobenzenes F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-02 — — EP 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS ALDH1A1 2216/4885CYP3A4 235/4885TSHR 95/4885
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN ALDH1A1 798/4885CYP3A4 2249/4885TSHR 1662/4885
US-20160243100-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds TNNI3, UMPS, TNNT2 ALDH1A1 3067/4885CYP3A4 4065/4885TSHR 3993/4885
US-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS HTT, NTRK2, BDNF ALDH1A1 3947/4885CYP3A4 4410/4885TSHR 55/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 ALDH1A1 1171/4885CYP3A4 1901/4885TSHR 4640/4885

“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.