SCHEMBL4905684

SCHEMBL4905684

CCOC(=O)C1CCc2c(sc3cc(F)ccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.52
PDK1 Q15118 1/20 0.45
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
P2RX3 P56373 1/20 0.41
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
POLB P06746 2/20 0.37
LGMN Q99538 1/20 0.37

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
SCHEMBL11246538 0.84 LIMK1 (0.55) LIMK1PDK1ALDH1A1MKNK1MAPT
SCHEMBL4904247 0.82 ALDH1A1 (0.43) LIMK1PDK1ALDH1A1TDP1THRB
SCHEMBL4902127 0.82 BCKDK (0.42) LIMK1PDK1ALDH1A1TP53P2RX3
SCHEMBL11229010 0.82 LIMK1 (0.53) LIMK1PDK1ALDH1A1MKNK1MAPT
SCHEMBL4906178 0.81 LIMK1 (0.47) LIMK1ALDH1A1MAPTTP53GAA
SCHEMBL11789706 0.80 LIMK1 (0.57) LIMK1PDK1ALDH1A1MKNK1MAPT
SCHEMBL11795888 0.80 LIMK1 (0.52) LIMK1PDK1ALDH1A1MKNK1MAPT
SCHEMBL4904164 0.74 PDK1 (0.46) LIMK1PDK1ALDH1A1MAPTTP53
SCHEMBL11791824 0.74 LIMK1 (0.43) LIMK1ALDH1A1MKNK1MAPTGAA
SCHEMBL11791636 0.73 ALDH1A1 (0.43) LIMK1ALDH1A1TDP1THRBMAPT

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 LIMK1 2755/4885PDK1 1717/4885ALDH1A1 437/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C LIMK1 2755/4885PDK1 1717/4885ALDH1A1 437/4885

“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.