SCHEMBL3909240

SCHEMBL3909240

NC(=O)c1nnc(SCc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.52
PTPN1 P18031 1/20 0.51
GFER P55789 2/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
MAPK8 P45983 1/20 0.45
DAO P14920 1/20 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
SCHEMBL3902864 0.84 ABL1 (0.61) PTPN1ALDH1A1MAPTHPGDNPC1
SCHEMBL3909244 0.81 NPC1 (0.50) EPHX1PTPN1ALDH1A1NPC1RAB9A
SCHEMBL3912589 0.81 EPHX1 (0.52) EPHX1GFERALDH1A1MAPTHPGD
SCHEMBL3906090 0.81 LMNA (0.62) GFERALDH1A1MAPTHPGDNPC1
SCHEMBL3900287 0.79 ALDH1A1 (0.51) ALDH1A1MAPTLMNA
SCHEMBL6097608 0.79 RAB9A (0.50) EPHX1PTPN1GFERALDH1A1MAPT
SCHEMBL4853860 0.79 ABCC8 (0.57) PTPN1ALDH1A1MAPTHPGDNPC1
SCHEMBL3913157 0.75 ABCC8 (0.53) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL3909233 0.75 L3MBTL1 (0.61) ALDH1A1MAPTHPGDABL1SRC
SCHEMBL10999740 0.75 PTPN1 (0.48) EPHX1PTPN1GFERALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP disclosed
US-7408068-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-08-05 US disclosed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 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-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 EPHX1 1038/4885PTPN1 4302/4885GFER 1735/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 EPHX1 1038/4885PTPN1 4302/4885GFER 1735/4885

“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.