SCHEMBL15469116

SCHEMBL15469116

CC(C)CN(CC(C)C)[SH](=O)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL14960122 0.75 TSHR (0.35)
SCHEMBL28689646 0.75 ALDH1A1 (0.37) CA1
SCHEMBL28370546 0.71 LMNA (0.38)
SCHEMBL15039785 0.71
SCHEMBL28374965 0.69 LMNA (0.42)
SCHEMBL28696100 0.68 LMNA (0.40)
SCHEMBL29154684 0.68 LMNA (0.40)
SCHEMBL28374679 0.68 LMNA (0.40)
SCHEMBL23895805 0.67
SCHEMBL11394693 0.65 CA12 (0.35) CA12CA1CA2CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026199-B Polarized light emitting film, polarized light emitting panel and display device containing water-soluble coumarin compound or salt thereof 日本化药株式会社 2023-12-26 CN disclosed
CN-110945083-B Styrene compound or salt thereof, polarizing film, polarizing plate and display device 日本化药株式会社 2022-07-01 CN disclosed
CN-114026199-A Polarizing luminescent film, polarizing luminescent sheet, and display device containing water-soluble coumarin compound or salt thereof 日本化药株式会社 2022-02-08 CN disclosed
CN-110945083-A Styrene compound or salt thereof, polarizing film, polarizing plate and display device 日本化药株式会社 2020-03-31 CN disclosed
US-9963458-B2 Indole and indoline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-05-08 US disclosed
US-9598447-B2 Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-9290488-B2 Azetidine-substituted quinoxalines as opioid receptor like-1 modulators PURDUE PHARMA L.P. (US) 2016-03-22 US disclosed
US-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-05 US disclosed
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-01-08 US disclosed
US-8846929-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-09-30 US disclosed
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-05-08 US disclosed
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-02-13 US disclosed
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-12 US disclosed
WO-2010121943-A2 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-10-28 WO disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US 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 (6 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-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QDPR, P2RX5, P2RX1 CA12 4801/4885CA1 4060/4885CA2 2513/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 CA12 4743/4885CA1 2729/4885CA2 2220/4885
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 CA12 4705/4885CA1 3184/4885CA2 3830/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 CA12 4125/4885CA1 1714/4885CA2 276/4885
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE IK, H1-0, H1-5 CA12 1627/4885CA1 2765/4885CA2 2424/4885
US-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF IDO1, IDO2, TPH2 CA12 4861/4885CA1 3684/4885CA2 3080/4885

“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.