SCHEMBL10132878

SCHEMBL10132878

[O-][S+](CCc1ccccc1)Cc1ccc(-c2ccc(OCN3CCOCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LTA4H P09960 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ABCB1 P08183 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ PRKAB2 O43741 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38

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
SCHEMBL10132865 0.89 NPC1 (0.63) ESR1ESR2NPC1RAB9ALTA4H
SCHEMBL10132933 0.88 NPC1 (0.56) NPC1RAB9ALTA4HKMT2AHTT
SCHEMBL10132868 0.78 SRC (0.53) NPC1RAB9ALTA4HHRH3PRKAB2
SCHEMBL10132866 0.78 SRC (0.60) ESR1ESR2NPC1RAB9ALTA4H
SCHEMBL10132884 0.77 BCHE (0.55) ESR1ESR2NPC1RAB9ALTA4H
SCHEMBL10132996 0.77 LTA4H (0.61) NPC1RAB9ALTA4HHRH3
SCHEMBL10132881 0.76 ESR1 (0.55) ESR1ESR2NPC1RAB9ALTA4H
SCHEMBL10132940 0.75 NPC1 (0.47) NPC1RAB9ALTA4HHRH3SRC
SCHEMBL10133062 0.75 FFAR1 (0.43) RAB9AKMT2AHTTGAA
SCHEMBL10132907 0.74 KDM4E (0.60) ESR1ESR2NPC1RAB9AKMT2A

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-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 — — US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 — — US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 — — US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 — — 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 (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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 ESR1 1277/4885ESR2 1738/4885NPC1 3447/4885

“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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