SCHEMBL1014978

SCHEMBL1014978

CCCSc1nc(N2C[C@@H](C)O[C@@H](C)C2)ncc1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.55
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 2/20 0.43
PIK3CD O00329 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ACACB O00763 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1018091 0.88 HSD11B1 (0.46) ALOX15ALDH1A1MEN1KMT2AGAA
SCHEMBL1015952 0.83 HSD11B1 (0.57) ALOX15ALDH1A1MEN1KMT2AGAA
SCHEMBL1014722 0.81 ALDH1A1 (0.64) ALOX15ALDH1A1MEN1KMT2AGAA
SCHEMBL1014359 0.80 SYK (0.48) ALOX15ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL1014364 0.75 SMN1; SMN2 (0.63) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL1012139 0.74 ALDH1A1 (0.67) ALOX15ALDH1A1L3MBTL1HSD11B1NPC1
SCHEMBL1014263 0.74 HSD11B1 (0.79) HSD11B1
SCHEMBL1014261 0.74 HSD11B1 (0.79) HSD11B1
SCHEMBL1014262 0.74 HSD11B1 (0.79) HSD11B1
SCHEMBL1013041 0.71 HSD11B1 (0.60) ALOX15ALDH1A1KMT2AL3MBTL1HSD11B1

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 ALOX15 242/4885ALDH1A1 53/4885MEN1 1994/4885

“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.