SCHEMBL1445686

SCHEMBL1445686

CS(=O)(=O)OCc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
P2RX7 Q99572 11/20 0.42
EPHX2 P34913 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARG P37231 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL24566218 0.88 IDO1 (0.44) IDO1P2RX7EPHX2SLC6A2SLC6A4
SCHEMBL16399421 0.84 POLQ (0.43) IDO1SLC6A4
SCHEMBL4679010 0.79 IDO1 (0.56) IDO1SLC6A2SLC6A4
SCHEMBL19534981 0.78 IDO1 (0.69) IDO1P2RX7EPHX2HDAC3HDAC1
SCHEMBL19491472 0.78 KIF11 (0.35) IDO1P2RX7EPHX2
SCHEMBL6305879 0.78 HTT (0.45)
SCHEMBL30512210 0.78 HTT (0.45)
SCHEMBL2298007 0.76 KIF11 (0.33) IDO1
SCHEMBL22445525 0.76 IDO1 (0.49) IDO1P2RX7EPHX2HDAC3HDAC1
SCHEMBL8417818 0.76 IDO1 (0.59) IDO1P2RX7EPHX2HDAC3HDAC1

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-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 US disclosed
US-7928209-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI R & D MANAGEMENT CO. LTD. (JP) 2011-04-19 US disclosed
US-7910712-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD (JP) 2011-03-22 US disclosed
US-7897387-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-01 US disclosed
US-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-31 US disclosed
US-7541332-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20090117586-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-07 US disclosed
US-20090098636-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2009-04-16 US disclosed
US-20080261272-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-23 US disclosed
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT, LTD. (JP) 2008-07-10 US disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 US disclosed
US-20060234283-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2006-10-19 US disclosed
US-20060234349-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2006-10-19 US disclosed
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 US disclosed
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 EP 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 (4 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-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 IDO1 2191/4885P2RX7 4310/4885EPHX2 3013/4885
US-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 IDO1 2191/4885P2RX7 4310/4885EPHX2 3013/4885
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 IDO1 2099/4885P2RX7 4423/4885EPHX2 2794/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 IDO1 2191/4885P2RX7 4310/4885EPHX2 3013/4885

“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.