SCHEMBL2425599

SCHEMBL2425599

CC1(O)CCC(Nc2cc(C(=O)O)ccc2C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 4/20 0.43
▸ JAK1 P23458 5/20 0.42
▸ JAK3 P52333 5/20 0.42
▸ CREBBP Q92793 3/20 0.41
▸ FLT3 P36888 1/20 0.39
▸ HSP90AA1 P07900 4/20 0.39
▸ HSP90AB1 P08238 3/20 0.39
▸ IRAK4 Q9NWZ3 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
SCHEMBL2425594 1.00 HCAR3 (0.43) HCAR3JAK1JAK3CREBBPFLT3
SCHEMBL2425596 1.00 HCAR3 (0.43) HCAR3JAK1JAK3CREBBPFLT3
SCHEMBL2426799 0.87 HCAR3 (0.55) HCAR3CREBBPFLT3HSP90AA1
SCHEMBL2426534 0.84 HCAR3 (0.57) HCAR3CREBBPFLT3
SCHEMBL2426793 0.84 HCAR3 (0.57) HCAR3CREBBPFLT3
SCHEMBL2424448 0.83 HCAR3 (0.56) HCAR3CREBBPFLT3
SCHEMBL2422536 0.82 HSP90AA1 (0.53) HCAR3HSP90AA1HSP90AB1
SCHEMBL2422533 0.82 HSP90AA1 (0.53) HCAR3HSP90AA1HSP90AB1
SCHEMBL2427377 0.81 CREBBP (0.51) HCAR3JAK1JAK3CREBBPFLT3
SCHEMBL2425142 0.77 JAK2 (0.49) HCAR3JAK1JAK3CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 — — CN disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 — — CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 — — EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 — — 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 HCAR3 1036/4885JAK1 3214/4885JAK3 4162/4885

“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.

Send feedback