SCHEMBL1855253

SCHEMBL1855253

COC(=O)C(CCCc1ccccc1)SCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 4/20 0.43
MMP3 P08254 3/20 0.43
MMP1 P03956 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL1858556 0.83 GRIK1 (0.49) MAPTRXFP1
SCHEMBL1855181 0.82 ATM (0.48) L3MBTL1CYP2C9CYP2C19KMT2ALMNA
SCHEMBL1858992 0.79 HDAC1 (0.50) MMP2MMP3MMP1MAPTRXFP1
SCHEMBL1858600 0.79 GRIK1 (0.54) MMP2MMP3CYP2D6CYP2C9CYP2C19
SCHEMBL11206513 0.79 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL4200709 0.77 TSHR (0.53) L3MBTL1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL16379302 0.77 TSHR (0.53) L3MBTL1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL3489121 0.77 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL12162457 0.77 MMP2 (0.57) MMP2MMP3
SCHEMBL9574068 0.77 MMP2 (0.57) MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS L3MBTL1 2630/4885MMP2 2326/4885MMP3 3246/4885

“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.