SCHEMBL13262102

SCHEMBL13262102

CC(=O)C1CSc2ccc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.35
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
DYRK1A Q13627 2/20 0.33
NPC1 O15118 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL10901043 0.80 TDP2 (0.46) POLBUSP2HSD17B10MEN1KMT2A
SCHEMBL631582 0.74 RAB9A (0.33) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL10196253 0.74 HTR2A (0.41) LMNASMN1; SMN2RAB9AALDH1A1CA1
SCHEMBL12501518 0.72 PARP1 (0.37) HSD17B3POLBMEN1KMT2APTPN2
SCHEMBL27540648 0.70 LMNA (0.33) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL14578477 0.70 FOLH1 (0.37) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL14188190 0.69 HTR2A (0.44) HSD17B3MEN1KMT2A
SCHEMBL6795662 0.68 ALDH1A1 (0.37) POLBUSP2HSD17B10MEN1KMT2A
SCHEMBL12291661 0.67 SIRT2 (0.37) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL28768380 0.66 BACE1 (0.33) POLBUSP2HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION AND PHARMACOPEIA, LLC (US) 2010-08-05 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-20100197562-A1 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRB3 HSD17B3 345/4885POLB 4577/4885USP2 2089/4885

“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.