SCHEMBL3453701

SCHEMBL3453701

CC(C)c1ccc(-c2csc(C(NCCC(=O)NS(=O)(=O)c3ccc(F)cc3)c3cccs3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 2/20 0.39
CLK1 P49759 1/20 0.39
NPSR1 Q6W5P4 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.37
GALR3 O60755 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 3/20 0.37
ADRB3 P13945 2/20 0.36
PHGDH O43175 1/20 0.36
GCK P35557 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3453390 0.93 KDM1A (0.40) LMNAKMT2AMEN1USP2POLB
SCHEMBL3451983 0.93 MAPT (0.37) LMNASMN1; SMN2MAPK1NPSR1KMT2A
SCHEMBL3453876 0.87 TRPA1 (0.35) LMNASMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL3453703 0.76 LMNA (0.45) LMNASMN1; SMN2MAPK1CLK1NPSR1
SCHEMBL3452514 0.73 RAB9A (0.40) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3451928 0.73 TRPA1 (0.38) SMN1; SMN2KMT2AMEN1MAPTRAB9A
SCHEMBL5161880 0.73 RAB9A (0.42) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL3452789 0.72 DHODH (0.40) LMNASMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL3452543 0.71 MRE11 (0.36) RAB9A
SCHEMBL5163151 0.71 MEP1B (0.41) ADRB3ADRB2ADRB1

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R LMNA 3752/4885SMN1; SMN2 3982/4885MAPK1 3533/4885

“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.