SCHEMBL3060952

SCHEMBL3060952

O=C(Cl)c1ccc(C(F)(F)F)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.68
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC6 Q9UBN7 4/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC4 P56524 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 1/20 0.35
YEATS4 O95619 1/20 0.35
MAOA P21397 1/20 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
SCHEMBL7008751 0.81 DAO (1.00) DAOERCC5FEN1TSHRLMNA
SCHEMBL3055322 0.79 YEATS4 (0.54) DAOERCC5FEN1TSHRLMNA
SCHEMBL7369616 0.79 DAO (0.68) DAOERCC5FEN1TSHRLMNA
SCHEMBL13295221 0.79 LMNA (0.68) DAOERCC5FEN1TSHRLMNA
SCHEMBL996669 0.77 DAO (0.44) DAOTSHRLMNAHPGDALDH1A1
SCHEMBL24198720 0.76 DAO (0.63) DAOERCC5FEN1TSHRLMNA
SCHEMBL27244010 0.76 DAO (0.63) DAOERCC5FEN1TSHRLMNA
SCHEMBL6677272 0.76 DAO (0.89) DAOERCC5FEN1TSHRLMNA
SCHEMBL24198756 0.75 DAO (0.61) DAOERCC5FEN1TSHRLMNA
SCHEMBL15113236 0.75 DAO (0.61) DAOERCC5FEN1TSHRLMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
CN-100363348-C PgD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2008-01-23 CN disclosed
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
CN-1720047-A PgD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2006-01-11 CN disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 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 (7 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 DAO 2444/4885ERCC5 3903/4885FEN1 2882/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 DAO 3570/4885ERCC5 4319/4885FEN1 4494/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 DAO 3913/4885ERCC5 3929/4885FEN1 4368/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 DAO 3570/4885ERCC5 4319/4885FEN1 4494/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 DAO 2444/4885ERCC5 3903/4885FEN1 2882/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 DAO 3816/4885ERCC5 4127/4885FEN1 3754/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 DAO 2444/4885ERCC5 3903/4885FEN1 2882/4885

“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.