SCHEMBL3436593

SCHEMBL3436593

Cc1ccccc1-c1cc(C(=O)O)n(C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
PTGS2 P35354 1/20 0.44
PHGDH O43175 6/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
TDP2 O95551 1/20 0.42

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
SCHEMBL3435957 0.83 CA9 (0.55) CA12CA1CA2CA9PTPN1
SCHEMBL3436590 0.81 CA12 (0.52) CA12CA1CA2CA9PTPN1
SCHEMBL3435550 0.81 CA9 (0.46) CA12CA1CA2CA9PTPN1
SCHEMBL2792109 0.80 PHGDH (0.61) CA12CA1CA2CA9PTPN1
SCHEMBL3435638 0.80 CA12 (0.54) CA12CA1CA2CA9PTPN1
SCHEMBL23049665 0.77 PHGDH (0.56) CA12CA1CA2CA9PTPN1
SCHEMBL23403457 0.77 CYP1A2 (0.44) KDM4EPTGS2RAB9ATDP1HPGD
SCHEMBL23685715 0.76 PTGS2 (0.50) KDM4EPTGS2RAB9ATDP1HPGD
SCHEMBL5821131 0.76 BRD4 (0.56) CA12CA1CA2CA9KMT2A
SCHEMBL6494629 0.75 KDM4E (0.51) CA12CA1CA2CA9PTPN1

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
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
WO-2012002527-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR あすか製薬株式会社 (JP) 2012-01-05 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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI CA12 3023/4885CA1 1503/4885CA2 790/4885

“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.