SCHEMBL5437459

SCHEMBL5437459

CC(C)C[C@H](CO)Nc1nc([S@@+]([O-])CCc2cccc(Cl)c2)nc2[nH]c(=O)sc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 19/20 0.56
CXCR2 P25025 19/20 0.56
HTR1B P28222 1/20 0.39

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
SCHEMBL5440057 0.85 CXCR2 (0.66) CX3CR1CXCR2
SCHEMBL5435242 0.85 CXCR2 (0.66) CX3CR1CXCR2
SCHEMBL5440061 0.85 CXCR2 (0.66) CX3CR1CXCR2
SCHEMBL5436400 0.83 CXCR2 (0.54) CX3CR1CXCR2HTR1B
SCHEMBL5431680 0.83 CXCR2 (0.54) CX3CR1CXCR2HTR1B
SCHEMBL5452459 0.83 CXCR2 (0.71) CX3CR1CXCR2HTR1B
SCHEMBL5435142 0.82 CXCR2 (0.57) CX3CR1CXCR2HTR1B
SCHEMBL5440084 0.77 CXCR2 (0.69) CX3CR1CXCR2HTR1B
SCHEMBL14490075 0.76 CXCR2 (0.71) CX3CR1CXCR2
SCHEMBL14490076 0.74 CX3CR1 (0.60) CX3CR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
US-20070142386-A1 New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 ASTRAZENECA (SE) 2007-06-21 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CX3CR1 1/4885CXCR2 7/4885HTR1B 1782/4885
US-20070142386-A1 New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 CX3CR1, CCR2, CXCR4 CX3CR1 1/4885CXCR2 6/4885HTR1B 641/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 CX3CR1 1/4885CXCR2 7/4885HTR1B 1782/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 CX3CR1 1/4885CXCR2 7/4885HTR1B 1572/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CX3CR1 1/4885CXCR2 7/4885HTR1B 1782/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CX3CR1 1/4885CXCR2 7/4885HTR1B 1782/4885

“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.