SCHEMBL7606085

SCHEMBL7606085

COC(=O)c1cc(C(O)=S)c(C)s1.COC(=S)c1cc(C#N)c(C)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 8/20 0.34
MAPT P10636 4/20 0.34
RXFP1 Q9HBX9 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 10/20 0.33
HPGD P15428 7/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL6928593 0.83 GAA (0.35) GAALMNACYP1A2CYP3A4CYP2D6
SCHEMBL6928339 0.83 KDM4E (0.43) GAALMNAKDM4EMAPTSMN1; SMN2
SCHEMBL6925081 0.83 GAA (0.48) GAALMNACYP1A2CYP3A4CYP2D6
SCHEMBL7248344 0.73 DAO (0.57) GAAKDM4EMAPTALDH1A1KMT2A
SCHEMBL6925463 0.70 KDM4E (0.42) GAALMNAKDM4EMAPTSMN1; SMN2
SCHEMBL18430426 0.69 KDM4E (0.47) GAALMNAKDM4EMAPTRXFP1
SCHEMBL6920019 0.68 LMNA (0.41) GAALMNACYP1A2CYP2C9CYP2C19
SCHEMBL6924855 0.68 GAA (0.43) GAALMNACYP1A2CYP3A4CYP2D6
SCHEMBL29108983 0.68 ALDH1A1 (0.51) GAALMNAKDM4EMAPTRXFP1
SCHEMBL3610681 0.67 KDM4E (0.42) GAALMNACYP1A2CYP3A4CYP2D6

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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 GAA 2994/4885LMNA 560/4885CYP1A2 1555/4885

“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.