SCHEMBL3435546

SCHEMBL3435546

COc1ccc(-c2cc(C(=O)O)n(C)n2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
BRD4 O60885 1/20 0.46
PTPN1 P18031 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45

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
SCHEMBL11077809 0.87 MAPT (0.54) MAPTTSHRMAPK1PDE4APDE4B
SCHEMBL2730926 0.82 PHGDH (0.59) MAPTCASP1ALDH1A1HPGDPOLB
SCHEMBL8842839 0.79 PHGDH (0.53) MAPTTSHRMAPK1ALDH1A1HPGD
SCHEMBL3436160 0.78 CA12 (0.45) MAPTALDH1A1HPGDPOLBPTPN1
SCHEMBL3436590 0.77 CA12 (0.52) MAPTALDH1A1HPGDPOLBBRD4
SCHEMBL2792109 0.77 PHGDH (0.61) PTPN1CA12CA1CA2CA9
SCHEMBL2555009 0.77 KMO (0.50) PTPN1MEN1KMT2AKDM4E
SCHEMBL1414029 0.76 HDAC3 (0.56) MAPTPTPN1CA12KDM4E
SCHEMBL4692583 0.76 PTPN1 (0.52) MAPTPTPN1CA12CA1CA2
SCHEMBL2565586 0.76 MAPT (0.56) MAPTHPGDPOLBPTPN1CA12

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 8 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
EP-0112623-A2 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions ELI LILLY AND COMPANY (US) 1984-07-04 EP 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 MAPT 4033/4885TSHR 4485/4885MAPK1 254/4885

“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.