SCHEMBL5216129

SCHEMBL5216129

O=C(O)NCC1CN(c2ccc(C3C=CS(O)(O)CC3)cc2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.46
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
PRSS1 P07477 5/20 0.43
PRSS2 P07478 5/20 0.43
PRSS3 P35030 5/20 0.43
F2 P00734 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5217995 0.91 MAOA (0.48) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL5216134 0.90 F10 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL5217885 0.89 F10 (0.47) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL5221102 0.89 F10 (0.46) F10F2
SCHEMBL5217468 0.89 F10 (0.44) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL5219335 0.86 F10 (0.41) F10ITGB3ITGA2BPRSS1PRSS2
Hydrochloric Acid SCHEMBL5217729 0.83 F10 (0.47) F10
SCHEMBL5217988 0.81 MAOA (0.50) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL5219467 0.81 F10 (0.46) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL5217875 0.80 F10 (0.47) F10F2

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
EP-1467992-B1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN CO LLC (US) 2007-08-08 EP claimed
US-6884813-B2 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones PHARMACIA & UPJOHN COMPANY (US) 2005-04-26 US claimed
EP-1467992-A1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP claimed
US-20030232812-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed
WO-2003062231-A1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2003-07-31 WO claimed
EP-1467992-B1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN CO LLC (US) 2007-08-08 EP disclosed
US-7101874-B2 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones PHARMACIA AND UPJOHN COMPANY (US) 2006-09-05 US disclosed
US-20050143376-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones GORDEEV MIKHAIL F (US) 2005-06-30 US disclosed
US-6884813-B2 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones PHARMACIA & UPJOHN COMPANY (US) 2005-04-26 US disclosed
US-20030232812-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones PHARMACIA & UPJOHN COMPANY 2003-12-18 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-20050143376-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones DHX35, DHX15, OXA1L F10 1666/4885ITGB3 3398/4885ITGA2B 4440/4885
US-20030232812-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones DHX35, ZYX, DHX15 F10 1689/4885ITGB3 3521/4885ITGA2B 4386/4885

“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.