SCHEMBL5070874

SCHEMBL5070874

Cc1nn(C)c2ncc(C(=O)O)cc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPR P35270 14/20 0.61
POLB P06746 1/20 0.61
CCR2 P41597 1/20 0.47
CCR5 P51681 1/20 0.47
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR3C1 P04150 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL7553541 0.86 SPR (0.60) SPRPOLBCCR2CCR5LMNA
SCHEMBL5961520 0.86 SPR (0.60) SPRPOLBCCR2CCR5LMNA
SCHEMBL8574855 0.83 SPR (0.61) SPRPOLBCCR2CCR5LMNA
SCHEMBL5069154 0.81 SPR (0.52) SPRPOLBCCR2CCR5LMNA
SCHEMBL11541422 0.80 SPR (0.46) SPRPOLBLMNAHPGDL3MBTL1
SCHEMBL7079541 0.79 CCR2 (0.68) SPRPOLBCCR2CCR5NR3C1
SCHEMBL7173405 0.78 HPGD (0.52) SPRPOLBHPGDL3MBTL1MAPT
SCHEMBL7418912 0.78 SPR (0.72) SPRPOLBLMNAHPGDL3MBTL1
SCHEMBL20413616 0.77 SPR (0.59) SPRPOLBCCR2CCR5HPGD
SCHEMBL14430228 0.76 SPR (0.52) SPRPOLBCCR2CCR5NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed
EP-1021413-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH CORP (US) 2003-06-11 EP disclosed
US-6548524-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION 2001-11-29 US disclosed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 SPR 2583/4885POLB 2204/4885CCR2 2235/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 SPR 1862/4885POLB 2683/4885CCR2 1975/4885
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors MSR1, TIMP3, TGFBR2 SPR 788/4885POLB 1613/4885CCR2 232/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 SPR 121/4885POLB 4293/4885CCR2 318/4885

“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.