SCHEMBL13445252

SCHEMBL13445252

Cc1ccc(S(=O)(=O)CCCO)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
CA2 P00918 4/20 0.67
KMT2A Q03164 6/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
LOX P28300 1/20 0.49
PAX8 Q06710 1/20 0.49
MCHR1 Q99705 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL6393111 0.94 ALDH1A1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL15899119 0.92 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL5799550 0.92 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL505791 0.88 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL1820762 0.87 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL1582969 0.87 ALDH1A1 (0.91) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL9439700 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL8970657 0.85 ALDH1A1 (0.87) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL8970703 0.85 ALDH1A1 (0.87) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL4001371 0.85 ALDH1A1 (0.87) ALDH1A1CYP3A4CYP2C9CYP2C19CA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104945358-A Method for synthesizing allylsuccinic anhydride SHANGHAI DONGYUE BIOCHEM CO LTD 2015-09-30 CN claimed
CN-106414525-B Photocurable resin composition 电化株式会社 2021-09-21 CN disclosed
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-07-06 US disclosed
US-9636330-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-02 US disclosed
EP-3002285-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2016-04-06 EP disclosed
CN-104945358-A Method for synthesizing allylsuccinic anhydride SHANGHAI DONGYUE BIOCHEM CO LTD 2015-09-30 CN disclosed
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-20 US disclosed
US-9006246-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-14 US disclosed
EP-2592081-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2013-05-15 EP disclosed
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-02 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 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 (4 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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK ALDH1A1 3526/4885CYP3A4 2213/4885CYP2C9 2399/4885
US-20170189386-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ALDH1A1 1022/4885CYP3A4 1471/4885CYP2C9 754/4885
US-20130109699-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ALDH1A1 1081/4885CYP3A4 1620/4885CYP2C9 812/4885
US-20150231118-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ALDH1A1 1081/4885CYP3A4 1620/4885CYP2C9 812/4885

“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.