SCHEMBL360733

SCHEMBL360733

CN(C)C(=O)C1[CH]CCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.36
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ATM Q13315 1/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2534477 0.98 GLI1 (0.35) GLI1CTSBCTSSCTSKATM
SCHEMBL2539812 0.98 GLI1 (0.35) GLI1CTSBCTSSCTSKATM
SCHEMBL2542483 0.94 GLI1 (0.37) GLI1CTSBCTSSCTSK
SCHEMBL2540271 0.87
SCHEMBL2337264 0.76
SCHEMBL1868510 0.73
SCHEMBL1864575 0.73
SCHEMBL1864577 0.73
SCHEMBL2536297 0.72
SCHEMBL5966226 0.71 POLB (0.36) POLBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311835-B1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS AND ANTIANGIOGENIC AGENTS FOR THE TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS INC (US) 2021-03-24 EP disclosed
EP-3311835-A1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS AND ANTIANGIOGENIC AGENTS FOR THE TREATMENT OF CANCER Threshold Pharmaceuticals Inc. (US) 2018-04-25 EP disclosed
EP-2593139-B1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS AND ANTIANGIOGENIC AGENTS FOR THE TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS INC (US) 2017-08-23 EP disclosed
EP-2336141-B1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
CN-103458896-B Be used for the treatment of the method for cancer THRESHOLD PHARMACEUTICALS, INC. (US) 2016-02-10 CN disclosed
US-9254299-B2 Administration of hypoxia activated prodrugs in combination with Chk1 inhibitors for treating cancer THRESHOLD PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
WO-2015171647-A1 TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
CN-102746336-B Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2015-08-19 CN disclosed
US-20150005262-A1 HYPOXIA ACTIVATED PRODRUGS AND MTOR INHIBITORS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. 2015-01-01 US disclosed
US-6451804-B1 Heteroalkylamino-substituted bicyclic nitrogen heterocycles SYNTEX (U.S.A.) LLC 2002-09-17 US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
EP-1226144-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP disclosed
US-20020082276-A1 Quinoline derivatives as anti-inflammatory agents SNYTEX (U.S.A.) LLC 2002-06-27 US disclosed
WO-2002041843-A2 ANTIINFLAMMATION AGENTS TULARIK INC. (US) 2002-05-30 WO disclosed
US-20020052349-A1 p-(sulfonyl) aryl and heteroarylamines as anti-inflammatory agents SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2002012192-A1 QUINOLENE DERIVATIVES AS ANTI-INFLAMMATION AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 WO disclosed
WO-2001083434-A2 P-(SULFONYL)-ARYL AND HETEROARYLS AMINES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO disclosed
WO-2001029041-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20020082276-A1 Quinoline derivatives as anti-inflammatory agents CNR1, CNR2, PTGER4 GLI1 2270/4885CTSB 1203/4885CTSS 592/4885
US-20020052349-A1 p-(sulfonyl) aryl and heteroarylamines as anti-inflammatory agents PTGES, P2RX3, P2RX7 GLI1 583/4885CTSB 606/4885CTSS 499/4885
US-20150005262-A1 HYPOXIA ACTIVATED PRODRUGS AND MTOR INHIBITORS FOR TREATING CANCER HIF1AN, HIF1A, MTOR GLI1 833/4885CTSB 1028/4885CTSS 1425/4885

“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.