SCHEMBL12685282

SCHEMBL12685282

CS(=O)(=O)OCCCN1CCC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HRH3 Q9Y5N1 8/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ OPRM1 P35372 4/20 0.36
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NSD2 O96028 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
SCHEMBL18091550 0.91 HRH3 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL23291205 0.90 KDM4E (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15885313 0.90 MMP9 (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15884760 0.87 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL23291149 0.81 HRH3 (0.35) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL17420572 0.80 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14116874 0.78 HRH3 (0.42) KDM4EALDH1A1HRH3SLC6A4OPRM1
SCHEMBL10554729 0.74 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15884868 0.74 ALDH1A1 (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20963278 0.74 HRH3 (0.38) HRH3SLC6A4OPRM1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 — — US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 — — US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 — — US disclosed
US-10155761-B2 CXCR4 receptor antagonists PROXIMAGEN, LLC (US) 2018-12-18 — — US disclosed
EP-2927224-B1 Receptor antagonists PROXIMAGEN LTD (GB) 2018-10-03 — — EP disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 — — US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 — — US disclosed
US-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 — — US disclosed
US-9663463-B2 3-azabicyclo[3.1.0]hexane derivative and use thereof for medical purpose SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2017-05-30 — — US disclosed
US-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-29 — — US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 — — US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 — — US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 — — US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 — — US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 — — US disclosed
EP-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 — — EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 — — EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 — — EP disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 — — US disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 — — 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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885USP2 4263/4885ALDH1A1 886/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885USP2 4263/4885ALDH1A1 886/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 KDM4E 4581/4885USP2 4134/4885ALDH1A1 1948/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885USP2 4263/4885ALDH1A1 886/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885USP2 4263/4885ALDH1A1 886/4885
US-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE OPRM1, OPRD1, OPRK1 KDM4E 2857/4885USP2 3925/4885ALDH1A1 610/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 KDM4E 3525/4885USP2 4263/4885ALDH1A1 886/4885

“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.

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