SCHEMBL1013198

SCHEMBL1013198

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
HSD11B1 P28845 6/20 0.53
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM6B O15054 3/20 0.40
KDM4A O75164 3/20 0.40
KDM4D Q6B0I6 3/20 0.40
KDM3B Q7LBC6 3/20 0.40
HIF1AN Q9NWT6 3/20 0.40
KDM5B Q9UGL1 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1012139 0.84 ALDH1A1 (0.67) HPGDHSD11B1ALDH1A1HSD17B10ALOX15
SCHEMBL1015456 0.81 RAB9A (0.45) HSD11B1ALDH1A1HSD17B10KDM6BKDM4A
SCHEMBL1013058 0.81 HSD11B1 (0.51) HPGDHSD11B1ALDH1A1KDM4EKDM6B
SCHEMBL1014328 0.74 SMN1; SMN2 (0.42) HPGDHSD11B1ALDH1A1HSD17B10KDM6B
SCHEMBL1015260 0.73 HSD11B1 (0.50) HPGDHSD11B1ALDH1A1HSD17B10KDM6B
SCHEMBL1018091 0.72 HSD11B1 (0.46) HSD11B1ALDH1A1ALOX15LMNAL3MBTL1
SCHEMBL1015936 0.72 PTPN11 (0.47) HSD11B1KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL2880540 0.72 HPGD (0.69) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL13983005 0.72 HPGD (1.00) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL1014300 0.71 HSD11B1 (1.00) HSD11B1

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 HPGD 54/4885HSD11B1 2/4885ALDH1A1 53/4885

“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.