SCHEMBL2424448

SCHEMBL2424448

NC(=O)c1ccc(C(=O)O)cc1NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 5/20 0.56
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA3 P07451 2/20 0.51
▸ CA6 P23280 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA5B Q9Y2D0 2/20 0.51
▸ CREBBP Q92793 2/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ ALOX15 P16050 3/20 0.48
▸ CISD1 Q9NZ45 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA13 Q8N1Q1 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ FLT3 P36888 1/20 0.45
▸ YAP1 P46937 1/20 0.44

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
SCHEMBL2426534 0.99 HCAR3 (0.57) HCAR3CA1CA2CA3CA6
SCHEMBL2426793 0.96 HCAR3 (0.57) HCAR3CA1CA2CA3CA6
SCHEMBL2426799 0.93 HCAR3 (0.55) HCAR3CA1CA2CA3CA6
SCHEMBL13451005 0.91 CA1 (0.53) HCAR3CA1CA2CA3CA6
SCHEMBL22097712 0.90 HCAR3 (0.59) HCAR3CA1CA2CA3CA6
SCHEMBL22097616 0.88 HCAR3 (0.61) HCAR3CA1CA2CA3CA6
SCHEMBL2422533 0.87 HSP90AA1 (0.53) HCAR3
SCHEMBL2422536 0.87 HSP90AA1 (0.53) HCAR3
SCHEMBL27972969 0.87 HCAR3 (0.50) HCAR3CA1CA2CA3CA6
SCHEMBL13450303 0.87 CA1 (0.48) HCAR3CA1CA2CA3CA6

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 11 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
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US 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
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — US 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 1036/4885CA1 3528/4885CA2 2509/4885

“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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