SCHEMBL6097608

SCHEMBL6097608

FC(F)(F)c1cccc(CSc2nnc(S)s2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
PTPN1 P18031 1/20 0.46
DAO P14920 2/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
GFER P55789 2/20 0.43
KDM4E B2RXH2 1/20 0.42
EPHX1 P07099 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL3909244 0.84 NPC1 (0.50) RAB9ANPC1LMNAPTPN1ALDH1A1
SCHEMBL3909240 0.79 EPHX1 (0.52) RAB9ANPC1LMNAPTPN1DAO
SCHEMBL1720545 0.78 LMNA (0.58) RAB9ANPC1LMNAALDH1A1TSHR
SCHEMBL7022003 0.77 PTPN1 (0.47) RAB9ANPC1LMNAPTPN1DAO
SCHEMBL10999740 0.73 PTPN1 (0.48) RAB9ANPC1LMNAPTPN1ALDH1A1
SCHEMBL8043296 0.72 ATG4B (0.50) RAB9ANPC1LMNAPTPN1DAO
SCHEMBL19592249 0.71 TAAR1 (0.55) DAOALDH1A1KDM4EEPHX1
SCHEMBL23927275 0.70 TAAR1 (0.58) DAOALDH1A1KDM4EEPHX1
SCHEMBL23927281 0.70 TAAR1 (0.58) DAOALDH1A1KDM4EEPHX1
SCHEMBL13319445 0.70 DAO (0.57) RAB9ADAOCDC7DBF4ALDH1A1

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
US-7002020-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY (US) 2006-02-21 US disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 US disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
CN-1288462-A Oxazolidinone combinatorial libraries, compositions and method of prepn. UPJOHN CO (US) 2001-03-21 CN disclosed
EP-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 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-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP RAB9A 4260/4885NPC1 4869/4885LMNA 2373/4885

“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.