SCHEMBL15315500

SCHEMBL15315500

COC(=O)CCSc1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
MAPK1 P28482 3/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 3/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 2/20 0.41
RGS12 O14924 1/20 0.41
PTGS1 P23219 1/20 0.40
GAA P10253 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
SCHEMBL20545522 0.87 ALDH1A1 (0.49) RAB9ASMN1; SMN2NPC1MAPK1TP53
SCHEMBL10118118 0.81 ALDH1A1 (0.53) SMN1; SMN2MAPK1NPSR1HPGDALDH1A1
SCHEMBL14444268 0.81 ALDH1A1 (0.47) RAB9ASMN1; SMN2MAPK1NPSR1MAPT
SCHEMBL30093743 0.80 ALOX15 (0.39) RAB9ASMN1; SMN2NPC1MAPK1MAPT
SCHEMBL27176343 0.80 ALOX15 (0.39) RAB9ASMN1; SMN2NPC1MAPK1MAPT
SCHEMBL10877599 0.78 TP53 (0.52) RAB9ASMN1; SMN2NPC1MAPK1TP53
SCHEMBL2965820 0.75 ALDH1A1 (0.49) RAB9ASMN1; SMN2NPC1MAPK1TP53
SCHEMBL30093760 0.74 NCOA1 (0.38) RAB9ASMN1; SMN2NPSR1MAPTHPGD
SCHEMBL11397002 0.74 TSHR (0.40) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL21855932 0.74 BRD4 (0.42) RAB9ASMN1; SMN2MAPK1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013154832-A2 2-PYRIMIDINE THIOESTERS AND THIOCARBONATES AS SKIN BRIGHTENING AGENTS EASTMAN CHEMICAL COMPANY (US) 2013-10-17 WO disclosed
US-20130273183-A1 2-Pyrimidine Thioesters and Thiocarbonates as Skin Brightening Agents EASTMAN CHEMICAL COMPANY (US) 2013-10-17 US disclosed
US-20130273183-A1 2-Pyrimidine Thioesters and Thiocarbonates as Skin Brightening Agents EASTMAN CHEMICAL COMPANY (US) 2013-10-17 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-20130273183-A1 2-Pyrimidine Thioesters and Thiocarbonates as Skin Brightening Agents TYR, MITF, TTPA RAB9A 2570/4885SMN1; SMN2 2808/4885NPC1 2361/4885

“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.