SCHEMBL1856485

SCHEMBL1856485

CCOC(=O)C(CCc1ccccc1)SCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ACE P12821 4/20 0.50
MMP8 P22894 1/20 0.48
MAPT P10636 1/20 0.47
PIN1 Q13526 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 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
SCHEMBL4008125 0.93 SMN1; SMN2 (0.49) SMN1; SMN2ACEMMP8MAPTPIN1
SCHEMBL8922510 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ACEMMP8MAPTPIN1
SCHEMBL7370964 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MMP8MAPTPIN1L3MBTL1
SCHEMBL8922709 0.82 ACE (0.45) SMN1; SMN2ACEMMP8MAPTNPC1
SCHEMBL3991999 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ACEMMP8MAPTPIN1
SCHEMBL1863852 0.80 PPARG (0.45) SMN1; SMN2ACEPPARGPPARAMEN1
SCHEMBL18065697 0.79 SMN1; SMN2 (0.57) SMN1; SMN2MMP8MAPTPIN1PPARG
SCHEMBL935980 0.79 TDP1 (0.59) SMN1; SMN2MMP8MAPTPIN1L3MBTL1
SCHEMBL8224624 0.78 SMN1; SMN2 (0.60) SMN1; SMN2ACEMMP8MAPTPIN1
SCHEMBL991355 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MMP8MAPTPIN1PPARG

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 SMN1; SMN2 2869/4885ACE 3665/4885MMP8 4399/4885

“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.