SCHEMBL1012139

SCHEMBL1012139

CCCSc1nc(N(C)C)ncc1C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
HSD17B10 Q99714 2/20 0.67
HSD11B1 P28845 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
JUN P05412 2/20 0.44
HPGD P15428 2/20 0.43
HSP90AA1 P07900 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1013198 0.84 HPGD (0.55) ALDH1A1HSD17B10HSD11B1SMN1; SMN2HPGD
SCHEMBL1014364 0.83 SMN1; SMN2 (0.63) ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL11151946 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL1014361 0.77 SMN1; SMN2 (0.59) ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL14625884 0.77 ALDH1A1 (0.63) ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL1900150 0.77 ALDH1A1 (0.60) ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL11144991 0.77 ALDH1A1 (0.60) ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL14590440 0.76 ALDH1A1 (0.58) ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL1012184 0.76 HSD11B1 (0.47) ALDH1A1HSD17B10HSD11B1SMN1; SMN2RAB9A
SCHEMBL1014359 0.75 SYK (0.48) ALDH1A1HSD17B10HSD11B1SMN1; SMN2RAB9A

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
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 ALDH1A1 53/4885HSD17B10 52/4885HSD11B1 2/4885

“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.