SCHEMBL5217995

SCHEMBL5217995

CC(=O)NC[C@H]1CN(c2ccc(C3C=CS(O)(O)CC3)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.48
MAOB P27338 2/20 0.48
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
CALML3 P27482 1/20 0.48
SDHA P31040 1/20 0.48
F10 P00742 7/20 0.47
ABCB11 O95342 1/20 0.45
ITGB3 P05106 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
ITGA2B P08514 2/20 0.45
PRSS3 P35030 2/20 0.45

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
SCHEMBL5216129 0.91 F10 (0.46) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL5217885 0.90 F10 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL5217988 0.90 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5217468 0.88 F10 (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5221102 0.88 F10 (0.46) F10ABCB11
SCHEMBL5217891 0.85 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5219335 0.85 F10 (0.41) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5216707 0.84 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL5217729 0.83 F10 (0.47) CALML3F10
SCHEMBL7526695 0.82 MAOA (0.52) MAOAMAOBLMNAPTGS1CALML3

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
US-20030232812-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones PHARMACIA & UPJOHN COMPANY 2003-12-18 US 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-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 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-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 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 (3 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 MAOA 3852/4885MAOB 3530/4885LMNA 4838/4885
US-20030232812-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones DHX35, ZYX, DHX15 MAOA 3803/4885MAOB 3725/4885LMNA 4827/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MAOA 1179/4885MAOB 732/4885LMNA 3862/4885

“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.