SCHEMBL3282161

SCHEMBL3282161

CCCCCCC1CCC(C(=O)Oc2ccc(C(=O)OCC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.46
▸ PLG P00747 2/20 0.44
▸ PRSS1 P07477 2/20 0.44
▸ ELANE P08246 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ TMPRSS2 O15393 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ F12 P00748 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPN P05981 1/20 0.42
▸ CHRM2 P08172 1/20 0.42

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
SCHEMBL12975875 0.88 ELANE (0.44) PRSS1ELANEHTTKMT2AMEN1
SCHEMBL9711946 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL9711992 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL9711762 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL9711987 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL9711684 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL9711766 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL9711679 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL9711949 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL9711842 0.86 NPC1 (0.57) PRSS1KMT2ACYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 — — US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 — — EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 — — US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 — — US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 — — EP disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 — — WO 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC RAB9A 714/4885PLG 207/4885PRSS1 2564/4885

“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.

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