SCHEMBL10114845

SCHEMBL10114845

COc1ccc(CNCCNCC(=O)Oc2ccccc2C(=O)Nc2ncc(S(C)(=O)=O)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 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
SCHEMBL10132044 0.87 NPC1 (0.42) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL10114825 0.87 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4757510 0.79 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4757768 0.79 MEN1 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4757594 0.79 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4755933 0.78 RAB9A (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4757526 0.78 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL705921 0.76 ALDH1A1 (0.64) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4757764 0.76 MEN1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4757584 0.76 KMT2A (0.50) MEN1KMT2ANPC1RAB9AALDH1A1

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-2178852-B9 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LAB LC (US) 2016-06-22 EP disclosed
EP-2178852-B1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LAB LC (US) 2015-07-22 EP disclosed
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
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 MEN1 4564/4885KMT2A 2303/4885POLB 4090/4885

“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.