SCHEMBL7785865

SCHEMBL7785865

CC(C)(C)OC(=O)[C@H](CCCN)N(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.46
TPSD1 Q9BZJ3 2/20 0.46
TPSG1 Q9NRR2 2/20 0.46
EPOR P19235 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
LTA4H P09960 1/20 0.40
SYK P43405 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 2/20 0.37
POLB P06746 1/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36

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
SCHEMBL7785339 0.97 TPSAB1 (0.47) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL5712142 0.93 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL28480221 0.93 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL1021829 0.93 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL5692891 0.90 EPOR (0.55) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL375887 0.90 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL4150947 0.90 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL3820596 0.90 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL28477064 0.87 TPSAB1 (0.46) TPSAB1TPSD1TPSG1EPORSYK
SCHEMBL28477062 0.87 TPSAB1 (0.46) TPSAB1TPSD1TPSG1EPORSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034342-A1 Substituted urea and isothiourea derivatives as no synthase inhibitors OPLINGER JEFFREY ALAN (US) 2001-10-25 US disclosed
US-6225305-B1 Substituted urea and isothiorea derivatives as no synthase inhibitors GLAXO WELLCOME INC. 2001-05-01 US disclosed
EP-0723438-A1 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-31 EP disclosed
WO-1995009619-A2 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-13 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 (1 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-20010034342-A1 Substituted urea and isothiourea derivatives as no synthase inhibitors NOS1, NOS2, SLC14A1 TPSAB1 3387/4885TPSD1 3172/4885TPSG1 4011/4885

“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.