SCHEMBL8301422

SCHEMBL8301422

O=C(OS(=O)(=O)c1ccccc1)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.43
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ DPP4 P27487 2/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ ANPEP P15144 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ENPP3 O14638 3/20 0.39
▸ ENPP1 P22413 3/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ENPP2 Q13822 2/20 0.38
▸ WNT3 P56703 2/20 0.37
▸ SFRP1 Q8N474 2/20 0.37

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
SCHEMBL7404085 1.00 ELANE (0.43) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL27539865 0.96 KMT2A (0.44) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL3803839 0.86 ENPP3 (0.41) CYP2D6CYP1A2SCN4AENPP3ENPP1
SCHEMBL9538667 0.86 ENPP3 (0.41) ELANEHTR2CHTR2BSCN4AKMT2A
SCHEMBL3060996 0.86 ENPP3 (0.41) CYP2D6CYP1A2SCN4AENPP3ENPP1
SCHEMBL8212865 0.83 DPP4 (0.45) DPP4TSHRHTR6KDM4E
SCHEMBL7070285 0.80 HTR2C (0.43) ELANEHTR2CSCN4AKMT2AKDM4E
SCHEMBL7754536 0.79 HTR2C (0.46) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL5717063 0.79 ENPP3 (0.46) KMT2AENPP3ENPP1ENPP2
SCHEMBL5586750 0.79 PTGS2 (0.53) CYP3A4KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2024-09-05 — — US disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 — — US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 — — US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 — — US disclosed
EP-3684776-B1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE UNIV NOTTINGHAM (GB) 2023-11-01 — — EP disclosed
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-09-15 — — US disclosed
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase UNIV NOTTINGHAM (GB) 2022-08-09 — — US disclosed
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 — — US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
CN-104364258-B Spirotetrahydro-benzothiophene derivatives for the treatment of neurodegenerative diseases 阿瑞斯贸易股份有限公司 2017-05-24 — — CN disclosed
CN-105051043-B Novel heterocyclic derivatives as modulators of kinase activity 默克专利有限公司 2017-05-10 — — CN disclosed
CN-106573932-A Indazoles 默克专利股份公司 2017-04-19 — — CN disclosed
CN-104030987-B DIHYDROOROTATE DEHYDROGENASE INHIBITORS 默克雪兰诺有限公司 2017-04-12 — — CN disclosed
CN-103814016-B Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity 默克专利有限公司 2017-03-08 — — CN disclosed
CN-104169258-B novel heterocyclic carboxamides as modulators of kinase activity 默克专利有限公司 2017-03-01 — — CN disclosed
CN-106458992-A Pyridyl piperidines 默克专利股份公司 2017-02-22 — — CN disclosed
CN-105980375-A Pyrimidine imidazole amines as modulators of kinase activity 默克专利有限公司 2016-09-28 — — CN disclosed
EP-0925295-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1999-06-30 — — EP disclosed
WO-1998003503-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-01-29 — — 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 (9 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-11396506-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 ELANE 572/4885CYP3A4 4816/4885CYP2D6 4301/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ELANE 312/4885CYP3A4 4072/4885CYP2D6 3248/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 ELANE 4844/4885CYP3A4 3969/4885CYP2D6 3412/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ELANE 416/4885CYP3A4 4168/4885CYP2D6 3547/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ELANE 416/4885CYP3A4 4168/4885CYP2D6 3547/4885
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 ELANE 572/4885CYP3A4 4816/4885CYP2D6 4301/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 ELANE 416/4885CYP3A4 4168/4885CYP2D6 3547/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 ELANE 572/4885CYP3A4 4816/4885CYP2D6 4301/4885
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 ELANE 572/4885CYP3A4 4816/4885CYP2D6 4301/4885

“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.

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