SCHEMBL4902127

SCHEMBL4902127

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 1/20 0.42
RAB9A P51151 1/20 0.41
PDK1 Q15118 1/20 0.37
ESR1 P03372 2/20 0.37
CYP1A2 P05177 1/20 0.35
LIMK1 P53667 1/20 0.35
TBXAS1 P24557 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NOTUM Q6P988 1/20 0.33
P2RX3 P56373 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL11797433 0.90 CYP17A1 (0.38) PDK1CYP1A2LIMK1PTGDR2MAPKAPK2
SCHEMBL4906178 0.88 LIMK1 (0.47) BCKDKRAB9AESR1LIMK1LMNA
SCHEMBL11789202 0.84 BCKDK (0.43) BCKDKRAB9APDK1CYP1A2LIMK1
SCHEMBL11789258 0.84 LIMK1 (0.40) RAB9APDK1CYP1A2LIMK1TBXAS1
SCHEMBL4905684 0.82 LIMK1 (0.52) PDK1LIMK1ALDH1A1RECQLP2RX3
SCHEMBL11789947 0.81 P2RX3 (0.47) CYP1A2LMNAALDH1A1P2RX3TP53
SCHEMBL11795858 0.81 PNMT (0.42) PDK1LIMK1
SCHEMBL11794022 0.79 G6PD (0.40) RAB9ALMNAALDH1A1
SCHEMBL4902790 0.79 CYP17A1 (0.36) PDK1CYP1A2TBXAS1PTGDR2MAPKAPK2
SCHEMBL11809051 0.77 CYP17A1 (0.36) BCKDKRAB9APTGDR2MAPKAPK2TP53

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 BCKDK 2145/4885RAB9A 4542/4885PDK1 1717/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C BCKDK 2145/4885RAB9A 4542/4885PDK1 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.