SCHEMBL7245696

SCHEMBL7245696

Nc1ccccc1CSc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
POLB P06746 1/20 0.50
CYP2D6 P10635 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
P4HB P07237 1/20 0.41
APOBEC3G Q9HC16 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSPA5 P11021 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
IDO1 P14902 2/20 0.38
HSD17B10 Q99714 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
SCHEMBL25910731 0.84 HSPA5 (0.52) TSHRCYP2D6HIF1AP4HBAPOBEC3G
SCHEMBL12278977 0.80 HSPA5 (0.43) TSHRALOX15POLBCYP2D6HIF1A
SCHEMBL16242574 0.79 POLB (0.68) TSHRALOX15POLBCYP2D6HIF1A
SCHEMBL16242814 0.77 POLB (0.65) TSHRALOX15POLBCYP2D6HIF1A
SCHEMBL19821082 0.77 DAO (0.51) POLBCYP2D6CYP1A2CYP2C19MEN1
SCHEMBL29198549 0.76 ALOX15 (0.42) TSHRALOX15POLBCYP2D6HIF1A
SCHEMBL77392 0.74 POLB (0.61) POLBMEN1KMT2AIDO1HSD17B10
SCHEMBL20150983 0.73 TRIM24 (0.52) TSHRCYP2D6HIF1AMEN1KMT2A
SCHEMBL19336517 0.73 SLC6A4 (0.56) TSHRALOX15POLBCYP2D6HIF1A
SCHEMBL8746053 0.73 TSHR (0.44) TSHRALOX15POLBCYP2D6HIF1A

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
US-6566385-B2 And the prenylation of the oncogene protein Ras; peptidomimetic macrocyclic compounds MERCK & CO., INC. 2003-05-20 US disclosed
US-20020099007-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
WO-2001051127-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 WO 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-20020099007-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS TSHR 3823/4885ALOX15 4250/4885POLB 3437/4885

“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.