SCHEMBL2852749

SCHEMBL2852749

O=C(CCOC(F)F)NCc1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.40
GRM5 P41594 1/20 0.40
ENPP2 Q13822 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.37
TPSAB1 Q15661 1/20 0.36

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
SCHEMBL27723274 0.88 CTSS (0.39) HPGDTHRBTDP1LMNATSHR
SCHEMBL2851650 0.80 TSHR (0.63) HPGDLMNATSHRRECQL
SCHEMBL2854437 0.78 LMNA (0.64) HPGDTDP1LMNAPOLB
SCHEMBL2858151 0.77 KMT2A (0.52) HPGDTDP1LMNARECQLPOLB
SCHEMBL2852748 0.77 GRM5 (0.40) HPGDTHRBTDP1LMNAGRM5
SCHEMBL934619 0.77 HPGD (0.59) HPGDHDAC8HDAC6POLB
SCHEMBL2849993 0.75 USP2 (0.64) HPGDTDP1LMNATSHRRECQL
SCHEMBL2857253 0.75 ALDH1A1 (0.47) HPGDLMNA
SCHEMBL9839814 0.74 EPHX2 (0.64) HPGD
SCHEMBL9840800 0.74 EPHX2 (0.64) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP claimed
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP disclosed
WO-2007076306-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2007-07-05 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-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB HPGD 1422/4885THRB 553/4885TDP1 4094/4885

“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.