SCHEMBL5338731

SCHEMBL5338731

CS(=O)(=O)OCCCc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 4/20 0.50
HTR1A P08908 4/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
MPO P05164 1/20 0.50
CYP2A6 P11509 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR7 P34969 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL6949448 0.96 SLC6A4 (0.54) SLC6A4CYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL27500639 0.94 SLC6A4 (0.52) SLC6A4CYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL649226 0.91 HTR2A (0.53) SLC6A4CYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL9208031 0.83 CYP19A1 (0.56) SLC6A4CYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL1177062 0.82 MEN1 (0.53) SLC6A4CYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL320187 0.82 NR3C1 (0.52) SLC6A4CYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL5637174 0.81 HTR2A (0.55) SLC6A4HTR1AHTR2AMPO
SCHEMBL3702253 0.81 MPO (0.62) SLC6A4HTR2AMPO
SCHEMBL8243669 0.80 SLC6A4 (0.62) SLC6A4CYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL4362228 0.78 SLC6A4 (0.61) SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 CN disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed
CN-107709323-A Oxipurinol class compound and its application 广东众生药业股份有限公司 2018-02-16 CN disclosed
WO-2016184312-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 WO disclosed
CN-101016296-A Muscarinic agonists ACADIA PHARM INC (US) 2007-08-15 CN disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed
EP-0644187-B1 Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL MYERS SQUIBB CO (US) 1998-07-01 EP disclosed
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
EP-0644187-A1 Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-22 EP disclosed
US-5382592-A Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed
EP-0269968-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-06-08 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 (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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A SLC6A4 1094/4885CYP1A2 98/4885CYP3A4 500/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A SLC6A4 1094/4885CYP1A2 98/4885CYP3A4 500/4885

“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.