SCHEMBL3188902

SCHEMBL3188902

CCCCC(C=O)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.39
CTSK P43235 10/20 0.37
CTSL P07711 4/20 0.36
CTSB P07858 4/20 0.36
POLB P06746 1/20 0.36
CTSH P09668 2/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL6363063 0.83 KIF11 (0.36) KIF11
SCHEMBL809553 0.76 PPARG (0.43) CTSKCTSLCTSBCTSHTSHR
SCHEMBL134594 0.75 HSD17B10 (0.51) KIF11POLB
SCHEMBL18704762 0.74 KIF11 (0.36) KIF11CNR2
SCHEMBL8334313 0.72 KIF11 (0.44) KIF11
SCHEMBL809514 0.71 LMNA (0.41) CTSKCTSLCTSBCTSHSMN1; SMN2
SCHEMBL5314905 0.71 CNR2 (0.38) KIF11CNR2
SCHEMBL13083002 0.71 CSNK1E (0.42) KIF11POLBCNR2
SCHEMBL31676108 0.71 HSD17B10 (0.47) KIF11CNR2
SCHEMBL6367382 0.71 KIF11 (0.39) KIF11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198218-B2 Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2012-06-12 US disclosed
US-20100022499-A1 HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2010-01-28 US disclosed
US-20050266496-A1 Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-12-01 US disclosed
US-20030144260-A1 Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-07-31 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 (3 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-20030144260-A1 Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method AADAC, ABCG2, HDAC3 KIF11 3317/4885CTSK 2144/4885CTSL 2012/4885
US-20100022499-A1 HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS AADAC, ABCG2, RICTOR KIF11 3214/4885CTSK 1239/4885CTSL 1208/4885
US-20050266496-A1 Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads AADAC, ABCG2, RICTOR KIF11 3214/4885CTSK 1239/4885CTSL 1208/4885

“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.