SCHEMBL4904247

SCHEMBL4904247

CCOC(=O)C1CCc2sc3ccc(F)cc3c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDK1 Q15118 1/20 0.42
LIMK1 P53667 1/20 0.42
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.38
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
CCNA1 P78396 1/20 0.37
LGMN Q99538 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL4905260 0.87 PDK1 (0.42) ALDH1A1PDK1LIMK1MAPTPOLB
SCHEMBL4895798 0.84 ALDH1A1 (0.40) ALDH1A1PDK1LIMK1MAPTPOLB
SCHEMBL4904164 0.84 PDK1 (0.46) ALDH1A1PDK1LIMK1MAPTTP53
SCHEMBL4905684 0.82 LIMK1 (0.52) ALDH1A1TDP1PDK1LIMK1MAPT
SCHEMBL4894634 0.82 SIRT1 (0.38) ALDH1A1LIMK1CYP17A1CYP3A4
SCHEMBL4902790 0.82 CYP17A1 (0.36) PDK1CYP17A1CYP3A4
SCHEMBL11229010 0.80 LIMK1 (0.53) ALDH1A1PDK1LIMK1MAPTPOLB
SCHEMBL4895642 0.78 KMT2A (0.51) MAPTMEN1KMT2AKDM4EATM
SCHEMBL11789706 0.78 LIMK1 (0.57) ALDH1A1PDK1LIMK1MAPTPOLB
SCHEMBL11795888 0.78 LIMK1 (0.52) ALDH1A1PDK1LIMK1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 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 (2 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C ALDH1A1 437/4885TDP1 2357/4885PDK1 1717/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C ALDH1A1 437/4885TDP1 2357/4885PDK1 1717/4885

“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.