SCHEMBL6399505

SCHEMBL6399505

O=C(Nc1ccc(C2(O)CCN(C(=O)OCc3ccccc3)CC2)c(F)c1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
MGLL Q99685 2/20 0.46
KDM1A O60341 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
P2RY1 P47900 1/20 0.44
ENPP2 Q13822 2/20 0.43
ATXN2 Q99700 2/20 0.43
NOS2 P35228 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL6398417 0.90 MCHR1 (0.47) MCHR1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6397474 0.90 BTK (0.49) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6402241 0.89 TSHR (0.44) MCHR1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29087291 0.83 PTGDR2 (0.48) NPC1RAB9ASMN1; SMN2KDM1AMEN1
SCHEMBL6399007 0.83 CCR1 (0.55) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6401881 0.83 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL748649 0.82 MEN1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM1A
SCHEMBL7982809 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM1AMEN1
SCHEMBL1498503 0.81 MAPT (0.53) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6397390 0.79 NPC1 (0.46) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1

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-6943267-B1 compounds structurally resemble the substrates of the enzymes, but have nonhydrolyzable mono protonated thiophosphonate salts; chromatography or distillations not required UTAH STATE UNIVERSITY (US) 2005-09-13 US disclosed
US-20050054683-A1 Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings HUTCHINSON DOUGLAS K (US) 2005-03-10 US disclosed
US-20050049431-A1 Thiophosphonate inhibitors of phosphatase enzymes and metallophosphatases UTAH STATE UNIVERSITY 2005-03-03 US disclosed
US-6358942-B1 MICROBIOCIDES AND BACTERICIDES FOR TREATING GRAMPOSITIVE, BACTEROIDES, CLOSTRIDIUM, MYCOBACTERIUM, STAPHYLOCOCCUS AND STREPTOCOCCUS INFECTIONS PHARMACIA & UPJOHN COMPANY 2002-03-19 US disclosed
US-6313307-B1 DEBLOCKING, DEPROTECTING; CATALYTIC HYDROGENATION, ALKYLATION; PREPARING MICROBIOCIDES AGAINST STAPHYLOCOCCUS, STREPTOCOCCUS, MYCOBACTERIUM, AND CLOSTRIDIUM PHARMACIA & UPJOHN COMPANY 2001-11-06 US disclosed
EP-0856002-B1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS UPJOHN CO (US) 2001-10-24 EP disclosed
US-6166056-A Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings PHARMACIA (US) 2000-12-26 US disclosed
US-6051716-A ANTIMICROBIAL AGENTS PHARMACIA & UPJOHN, INC. (US) 2000-04-18 US disclosed
US-6043266-A MICROBIOCIDES TREATING GRAM-POSITIVE BACTERIA INFECTIONS AND PERSONS WITH AIDS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed
US-5968962-A ANTIMICROBIAL AGENTS; EFFECTIVE AGAINST GRAMPOSITIVE BACTERIA PHARMACIA & UPJOHN COMPANY (US) 1999-10-19 US disclosed
EP-0856002-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1998-08-05 EP disclosed
WO-1997009328-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1997-03-13 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 (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-20050049431-A1 Thiophosphonate inhibitors of phosphatase enzymes and metallophosphatases PPME1, MTMR1, PTPRE MCHR1 4562/4885TSHR 1052/4885NPC1 1931/4885
US-20050054683-A1 Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings CBR1, NCOR1, RCOR1 MCHR1 322/4885TSHR 630/4885NPC1 353/4885

“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.