SCHEMBL4572608

SCHEMBL4572608

Cc1occc1SC(=O)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PTPN1 P18031 1/20 0.42
POLB P06746 6/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
APEX1 P27695 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL920782 0.80 CES2 (0.42) CES2CES1PTPN1POLBHSD17B10
SCHEMBL5496057 0.74 KDM4E (0.41) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL921135 0.74 CA12 (0.41) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL3322705 0.72
SCHEMBL10888602 0.70 TP53 (0.42) POLBLMNAALDH1A1HPGDKDM4E
SCHEMBL28886962 0.70 TSHR (0.41) POLBLMNATDP1ALDH1A1MEN1
SCHEMBL3737300 0.69
SCHEMBL9972664 0.68 CES2 (0.52) CES2CES1PTPN1POLBHSD17B10
SCHEMBL5496033 0.68 ALDH1A1 (0.40) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL7463649 0.68 ICAM1 (0.39) POLBLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
WO-2012054527-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 CES2 843/4885CES1 1136/4885PTPN1 1177/4885

“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.