SCHEMBL10131508

SCHEMBL10131508

CC(C)CC(=O)Oc1ccccc1C(=O)Nc1ncc(S)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
PKM P14618 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
ABCB11 O95342 1/20 0.51
TP53 P04637 1/20 0.51
ADRB2 P07550 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51

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
SCHEMBL4938035 0.84 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4757526 0.84 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10169728 0.82 RAB9A (0.61) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4939291 0.82 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10131745 0.82 NPC1 (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10132047 0.81 KMT2A (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10132044 0.76 NPC1 (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4938673 0.76 NPC1 (0.47) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10132051 0.74 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL12994091 0.73 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 US disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 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 (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-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC ALDH1A1 1605/4885NPC1 585/4885RAB9A 1694/4885

“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.