SCHEMBL4597014

SCHEMBL4597014

NC(=S)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.65
CES1 P23141 3/20 0.65
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PHGDH O43175 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 2/20 0.45
SRD5A2 P31213 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL3658715 0.81 CES2 (0.71) CES2CES1ALOX15TSHRLMNA
SCHEMBL273857 0.80 CES2 (1.00) CES2CES1ALOX15TSHRLMNA
SCHEMBL28880091 0.77 CES2 (0.65) CES2CES1LMNAALDH1A1NPC1
SCHEMBL10877648 0.77 TSHR (0.55) TSHRKDM4EMAPTNPC1RAB9A
SCHEMBL1437521 0.77 CES2 (0.47) CES2CES1ALDH1A1MAPTNPC1
SCHEMBL10879610 0.76 CES2 (0.62) CES2CES1TSHRLMNAL3MBTL1
SCHEMBL29959902 0.75 MAP4K4 (0.62) CES2CES1ALOX15TSHRLMNA
SCHEMBL77931 0.75 MAP4K4 (0.62) CES2CES1ALOX15TSHRLMNA
SCHEMBL29025701 0.75 CES2 (0.79) CES2CES1ALOX15TSHRLMNA
SCHEMBL354613 0.75 HTT (0.56) CES2CES1ALOX15TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
EP-1910311-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-04-16 EP disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 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-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC6A3, SLC1A2 CES2 526/4885CES1 359/4885ALOX15 2807/4885

“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.