SCHEMBL4053911

SCHEMBL4053911

CC1=CC(C)(C(C)Sc2nc(N[C@@H](CO)CC(C)C)c3sc(=O)[nH]c3n2)NC=C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.60
CX3CR1 P49238 16/20 0.60
ADORA1 P30542 1/20 0.39
HTR1B P28222 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
SCHEMBL4054098 0.91 CXCR2 (0.57) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL4054364 0.86 CXCR2 (0.62) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL4056085 0.79 CXCR2 (0.59) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL4054094 0.78 CXCR2 (0.60) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL212299 0.78 CXCR2 (0.71) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL12022718 0.78 CXCR2 (0.71) CXCR2CX3CR1ADORA1HTR1B
SCHEMBL213886 0.75 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL213766 0.75 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL4129653 0.75 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL212748 0.75 CXCR2 (1.00) CXCR2CX3CR1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009120140-A1 NOVEL 5,7-DISUBSTITUTED [1,3]THIAZOLO[4,5-D]PYRIMIDIN-2(3H)-ONE DERIVATIVES 258 ASTRAZENECA AB (SE) 2009-10-01 WO claimed
US-20090247555-A1 5,7-Disubstituted[1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 258 ASTRAZENECA AB (SE) 2009-10-01 US claimed
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
EP-2648754-A2 METHODS OF INHIBITING METASTASIS FROM CANCER Philadelphia Health and Education Corporation D/B/A (US) 2013-10-16 EP 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
WO-2012078633-A2 METHODS OF INHIBITING METASTASIS FROM CANCER PHILADELPHIA HEALTH AND EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICENE (US) 2012-06-14 WO disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 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 CXCR2 7/4885CX3CR1 1/4885ADORA1 368/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 CXCR2 7/4885CX3CR1 1/4885ADORA1 368/4885
US-20090247555-A1 5,7-Disubstituted[1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 258 CX3CR1, CCR2, CXCR3 CXCR2 7/4885CX3CR1 1/4885ADORA1 119/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 CXCR2 7/4885CX3CR1 1/4885ADORA1 336/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CXCR2 7/4885CX3CR1 1/4885ADORA1 368/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CXCR2 7/4885CX3CR1 1/4885ADORA1 368/4885

“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.