SCHEMBL15044040

SCHEMBL15044040

CCC(O)C(O)C(O)CCO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL15895084 1.00 LMNA (0.37) LMNATHRBTSHRL3MBTL1TDP1
SCHEMBL18136267 1.00 LMNA (0.37) LMNATHRBTSHRL3MBTL1TDP1
SCHEMBL14556007 0.94 LMNA (0.38) LMNATHRBTSHRL3MBTL1TDP1
SCHEMBL15484277 0.85 THRB (0.44) LMNATHRBL3MBTL1TDP1
SCHEMBL4956291 0.84 PTPN1 (0.37) LMNATSHR
SCHEMBL6436093 0.83 LMNA (0.48) LMNATHRBTSHRL3MBTL1TDP1
SCHEMBL8855937 0.82
SCHEMBL8855929 0.82
SCHEMBL395052 0.82
SCHEMBL3174122 0.82 LMNA (0.38) LMNATSHR

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
WO-2024023138-A2 CA-IX TARGETING FLUORESCENT PROBES BRACCO IMAGING SPA (IT) 2024-02-01 WO disclosed
WO-2024023144-A1 CA-IX TARGETING FLUORESCENT PROBES BRACCO IMAGING SPA (IT) 2024-02-01 WO disclosed
WO-2021259899-A1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF BRACCO IMAGING SPA (IT) 2021-12-30 WO disclosed
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
EP-2700636-B1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS ASAHI CHEMICAL IND (JP) 2017-08-02 EP disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-9359324-B2 Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-06-07 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
US-20150197501-A1 Process for Preparing Episulfide Compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-16 US disclosed
US-9051293-B2 Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-06-09 US disclosed
US-20140107350-A1 Process for Preparing Episulfide Compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-04-17 US disclosed
EP-2700636-A1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS Asahi Kasei Chemicals Corporation (JP) 2014-02-26 EP disclosed
WO-2013089212-A1 SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2013-06-20 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 LMNA 3635/4885THRB 747/4885TSHR 737/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 LMNA 3635/4885THRB 747/4885TSHR 737/4885
US-20150197501-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS LMNA 3658/4885THRB 962/4885TSHR 1233/4885
US-20140107350-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS LMNA 3658/4885THRB 962/4885TSHR 1233/4885

“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.