SCHEMBL1855181

SCHEMBL1855181

COC(=O)C(Cc1ccccc1)SCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GLA P06280 1/20 0.44
MIF P14174 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1855253 0.82 L3MBTL1 (0.43) L3MBTL1CYP2C9CYP2C19KMT2ALMNA
SCHEMBL1855157 0.81 CYP1A2 (0.53) ALDH1A1CYP2C9CYP2C19HSD17B10POLB
SCHEMBL6054516 0.81 ATM (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7831378 0.78 PPARG (0.52) ATML3MBTL1ALDH1A1LMNANPC1
SCHEMBL7352813 0.77 MMP8 (0.54) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL1970419 0.77 PPARG (0.54) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL5994737 0.77 LTA4H (0.61) L3MBTL1LMNANPC1RAB9APPARG
SCHEMBL8896704 0.76 ALDH1A1 (0.52) ATML3MBTL1ALDH1A1CYP2C9CYP2C19
SCHEMBL8939122 0.76 ATM (0.53) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL1442737 0.75 MMP8 (0.58) ATML3MBTL1ALDH1A1THRBCYP2C9

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 ATM 2952/4885L3MBTL1 2630/4885ALDH1A1 198/4885

“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.