SCHEMBL3591119

SCHEMBL3591119

CCC(C(=O)OC(C)(C)C)n1cnc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 4/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3587303 0.81 TDP1 (0.34) KMT2AMEN1NPSR1POLBTDP1
SCHEMBL312788 0.72 CYP17A1 (0.38) CYP17A1KMT2ALMNATSHRTP53
SCHEMBL5172212 0.67 GPR119 (0.38) KMT2AMEN1POLBTSHRMAPT
SCHEMBL3586455 0.67 ALPL (0.47) KMT2AALDH1A1L3MBTL1
SCHEMBL14926161 0.66 ALDH1A1 (0.34) KMT2ALMNATSHRALDH1A1
SCHEMBL5158716 0.65 BRD4 (0.34) ALDH1A1
SCHEMBL4907438 0.65 HTT (0.32) KMT2ANPSR1POLBTDP1LMNA
SCHEMBL4909506 0.65 CPB2 (0.32) KMT2ANPSR1POLBTDP1LMNA
Hydrochloric Acid SCHEMBL11092931 0.63 CYP1A2 (0.33) KMT2A
SCHEMBL10710918 0.63 KMT2A (0.40) KMT2APOLBLMNAMAPTALDH1A1

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CYP17A1 2216/4885KMT2A 3866/4885MEN1 4848/4885

“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.