SCHEMBL2428547

SCHEMBL2428547

NC(=O)c1ccc(C(=O)O)cc1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.57
TSHR P16473 1/20 0.57
PLA2G10 O15496 3/20 0.54
KDM4E B2RXH2 1/20 0.47
PTPN1 P18031 3/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CDC7 O00311 1/20 0.42
SRD5A2 P31213 1/20 0.41
HNF4A P41235 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6140508 0.92 PLA2G2A (0.61) PLA2G2ATSHRPLA2G10PTPN1PTPN2
SCHEMBL16584765 0.90 PLA2G2A (0.59) PLA2G2ATSHRPLA2G10KDM4EPTPN1
SCHEMBL6772376 0.90 TSHR (0.69) PLA2G2ATSHRPLA2G10KDM4EPTPN1
Benzoic Acid SCHEMBL28485841 0.82 TSHR (0.68) PLA2G2ATSHRPLA2G10PTPN1PTPN2
SCHEMBL1646865 0.81 TSHR (0.71) TSHRKDM4EPTPN1PTPN2PTPN6
SCHEMBL31307947 0.81 TSHR (0.61) PLA2G2ATSHRPLA2G10KDM4EPTPN1
SCHEMBL24699358 0.81 DGAT1 (0.49) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL5802389 0.81 PLA2G2A (0.46) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL30015569 0.81 DGAT1 (0.49) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL28838076 0.81 MEN1 (0.58) PLA2G2APLA2G10KDM4EPTPN1PTPN2

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 PLA2G2A 1123/4885TSHR 172/4885PLA2G10 1132/4885

“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.