SCHEMBL3785294

SCHEMBL3785294

CC(C)(C)OC(=O)N[C@@](CC(=O)O)(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CA1 P00915 3/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CTSS P25774 5/20 0.36
CTSK P43235 5/20 0.36
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
CA2 P00918 3/20 0.34

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
SCHEMBL8915151 1.00 MEN1 (0.40) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL1486212 0.84 NAALAD2 (0.44) MEN1GAAKMT2ATDP1CA1
SCHEMBL5031613 0.84 NAALAD2 (0.44) MEN1GAAKMT2ATDP1CA1
SCHEMBL7414280 0.80 TDP1 (0.36) MEN1GAAKMT2ATDP1CA1
SCHEMBL16862490 0.79 CTSK (0.36) MEN1GAAKMT2ATDP1CA1
SCHEMBL11569761 0.79 TDP1 (0.37) MEN1GAAKMT2ATDP1TSHR
SCHEMBL6793586 0.78 TDP1 (0.50) MEN1GAAKMT2ATDP1CA1
SCHEMBL16394247 0.78 MEN1 (0.42) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL16394248 0.78 MEN1 (0.42) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL15106687 0.78 CYP17A1 (0.38) HIF1ACA1CA12CA14CTSS

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
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR ASUBIO PHARMA CO., LTD. (JP) 2010-02-04 US disclosed
US-7618977-B2 Method of treating dermatitis comprising administering a chymase inhibitor ASUBIO PHARMA CO., LTD. (JP) 2009-11-17 US disclosed
EP-1192950-B1 THERAPEUTIC DRUGS FOR DERMATITIS EXHIBITING A BIPHASIC SKIN REACTION CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-07-26 EP disclosed
EP-0980366-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-06-09 EP disclosed
US-20020183339-A1 Medicament for prevention and treatment of dermatitis having chymase inhibitor as effective ingredient DAIICHI SANKYO COMPANY, LIMITED (JP) 2002-12-05 US disclosed
EP-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
EP-1192950-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DERMATITISES CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2002-04-03 EP disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US disclosed
US-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP disclosed
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 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 (2 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-20020183339-A1 Medicament for prevention and treatment of dermatitis having chymase inhibitor as effective ingredient CMA1, SERPINB1, TSLP MEN1 4557/4885GAA 201/4885KMT2A 1010/4885
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 MEN1 4531/4885GAA 131/4885KMT2A 1098/4885

“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.