SCHEMBL6420271

SCHEMBL6420271

COC(=O)c1ccc(SSc2ccc(C)cn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 7/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 7/20 0.44
PSMD14 O00487 1/20 0.43
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 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
SCHEMBL4598056 0.82 TDP1 (0.54) MAPK1TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL247044 0.80 MAPK1 (0.61) MAPK1TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL18158931 0.79 MAPK1 (0.59) MAPK1TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL2096747 0.78 HPGD (0.56) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11728634 0.77 CCR1 (0.52) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30574349 0.74 MAPK1 (0.67) MAPK1TDP1ALDH1A1HPGDKDM4E
SCHEMBL64763 0.74 MAPK1 (0.67) MAPK1TDP1ALDH1A1HPGDKDM4E
SCHEMBL25254764 0.74 MAPK1 (0.57) MAPK1TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL8806506 0.74 MAPK1 (0.54) MAPK1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4220911 0.74 CXCR2 (0.56) MAPK1ALDH1A1CYP1A2CYP2C9CYP2C19

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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor BAYER HEALTHCARE AG (DE) 2005-06-02 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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor HTR2C, HTR2A, HTR2B MAPK1 3825/4885TDP1 4000/4885ALDH1A1 813/4885

“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.