SCHEMBL2428070

SCHEMBL2428070

Cc1cc(C(N)=O)c(NCC(C)C)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36
CASR P41180 1/20 0.36
F3 P13726 2/20 0.35
CREBBP Q92793 1/20 0.35
NNMT P40261 1/20 0.35
MAPK14 Q16539 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3973224 0.85 CISD1 (0.36) MEN1TSHRKMT2AKDM6BKDM4C
SCHEMBL13451087 0.84 MEN1 (0.46) MEN1TSHRKMT2AKDM6BKDM4C
SCHEMBL2428525 0.84 TSHR (0.46) MEN1TSHRKMT2AKDM6BKDM4C
SCHEMBL3975210 0.83 CASR (0.33) MEN1TSHRKMT2AKDM6BKDM4C
SCHEMBL4258452 0.83 MEN1 (0.34) MEN1TSHRKMT2AKDM6BKDM4C
SCHEMBL3979062 0.83 CISD1 (0.38) MEN1TSHRKMT2AKDM6BKDM4C
SCHEMBL2431005 0.81 CISD1 (0.49) KDM6BKDM4CHCAR3MAPK14CISD1
SCHEMBL2424707 0.80 HSP90AA1 (0.41) HCAR3JAK2JAK1TYK2JAK3
SCHEMBL2424142 0.79 HSP90AA1 (0.46) HCAR3POLBL3MBTL1CASRNNMT
SCHEMBL2426568 0.79 HSP90AA1 (0.46) HCAR3POLBL3MBTL1CASRNNMT

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 MEN1 989/4885TSHR 172/4885KMT2A 3076/4885

“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.