Sugi Predict

Sugi Predict / Compounds / SCHEMBL16746574

SCHEMBL16746574

SCHEMBL16746574

CC(C)(C)[S@@+]([O-])/N=C/c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.47
▸ MAOA P21397 2/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ PKM P14618 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ TOP2A P11388 2/20 0.41
▸ CTH P32929 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ G6PC1 P35575 1/20 0.40
▸ GPR3 P46089 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL22230365 1.00 NR4A1 (0.47) NR4A1MAOANPC1RAB9AMEN1
SCHEMBL14334435 1.00 NR4A1 (0.47) NR4A1MAOANPC1RAB9AMEN1
SCHEMBL22230368 1.00 NR4A1 (0.47) NR4A1MAOANPC1RAB9AMEN1
SCHEMBL29504028 1.00 NR4A1 (0.47) NR4A1MAOANPC1RAB9AMEN1
SCHEMBL12315085 1.00 NR4A1 (0.47) NR4A1MAOANPC1RAB9AMEN1
SCHEMBL30708147 1.00 NR4A1 (0.47) NR4A1MAOANPC1RAB9AMEN1
SCHEMBL29662301 1.00 NR4A1 (0.47) NR4A1MAOANPC1RAB9AMEN1
SCHEMBL15157684 0.79 GPR3 (0.35) GPR3
SCHEMBL29060308 0.79 GPR3 (0.35) GPR3
SCHEMBL15166344 0.79 GPR3 (0.35) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034691-B2 Sphinogosine-1 -phosphate receptor modulators for treatment of cardiopulmonary disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-15 — — US disclosed
EP-3072896-B1 TAXANE COMPOUND, AND PREPARATION METHOD AND USE THEREOF JIANGSU TASLY DIYI PHARMACEUTICAL CO LTD (CN) 2021-01-06 — — EP disclosed
US-20190300527-A1 SPHINOGOSINE-1-PHOSPHATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS THE SCRIPPS RESEARCH INSTITUTE 2019-10-03 — — US disclosed
US-10323029-B2 Sphinogosine-1-phosphate receptor modulators for treatment of cardiopulmonary disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-18 — — US disclosed
US-10253007-B2 Taxanes compounds, preparation method therefor, and uses thereof JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2019-04-09 — — US disclosed
US-9890175-B2 Taxane compound, and preparation method and use thereof JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2018-02-13 — — US disclosed
US-9890175-B2 Taxane compound, and preparation method and use thereof JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2018-02-13 — — US disclosed
US-20170217963-A1 SPHINOGOSINE-1-PHOSPHATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS THE SCRIPPS RESEARCH INSTITUTE 2017-08-03 — — US disclosed
US-20170217963-A1 SPHINOGOSINE-1-PHOSPHATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS THE SCRIPPS RESEARCH INSTITUTE 2017-08-03 — — US disclosed
US-20160340365-A1 TAXANE COMPOUND, AND PREPARATION METHOD AND USE THEREOF JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2016-11-24 — — US disclosed
US-20160297784-A1 Taxanes Compounds, Preparation Method Therefor, and Uses Thereof JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2016-10-13 — — US disclosed
EP-3072896-A1 TAXANE COMPOUND, AND PREPARATION METHOD AND USE THEREOF Jiangsu Tasly Diyi Pharmaceutical Co., Ltd. (CN) 2016-09-28 — — EP disclosed
WO-2015074605-A1 TAXANES COMPOUNDS, PREPARATION METHOD THEREFOR, AND USES THEREOF 天士力控股集团有限公司 2015-05-28 — — WO disclosed
WO-2015074606-A1 TAXANE COMPOUND, AND PREPARATION METHOD AND USE THEREOF 天士力控股集团有限公司 2015-05-28 — — 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 (7 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-20160340365-A1 TAXANE COMPOUND, AND PREPARATION METHOD AND USE THEREOF CYP2B6, CYP2D6, CYP2A6 NR4A1 236/4885MAOA 1184/4885NPC1 919/4885
US-20170217963-A1 SPHINOGOSINE-1-PHOSPHATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS S1PR1, SPHK1, S1PR3 NR4A1 1389/4885MAOA 4758/4885NPC1 779/4885
US-11034691-B2 Sphinogosine-1 -phosphate receptor modulators for treatment of cardiopulmonary disorders S1PR1, SPHK1, S1PR3 NR4A1 1389/4885MAOA 4758/4885NPC1 779/4885
US-10253007-B2 Taxanes compounds, preparation method therefor, and uses thereof THEM6, CYP2B6, CYP2D6 NR4A1 394/4885MAOA 1573/4885NPC1 482/4885
US-20190300527-A1 SPHINOGOSINE-1-PHOSPHATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS S1PR1, SPHK1, S1PR3 NR4A1 1389/4885MAOA 4758/4885NPC1 779/4885
US-10323029-B2 Sphinogosine-1-phosphate receptor modulators for treatment of cardiopulmonary disorders S1PR1, SPHK1, S1PR3 NR4A1 1389/4885MAOA 4758/4885NPC1 779/4885
US-20160297784-A1 Taxanes Compounds, Preparation Method Therefor, and Uses Thereof THEM6, CYP2B6, CYP2D6 NR4A1 394/4885MAOA 1573/4885NPC1 482/4885

“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.