SCHEMBL3436592

SCHEMBL3436592

COc1cc(Cl)ccc1-c1cc(C(=O)O)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
TACR3 P29371 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALPL P05186 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 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
SCHEMBL3434180 0.85 ALPL (0.59) CA12CA1CA2CA9ALPL
SCHEMBL10049127 0.85 KMT2A (0.45) CA12CA1CA2CA9ALPL
SCHEMBL10049128 0.84 CCNT1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL3435955 0.84 CNR1 (0.43) HSP90AA1HSP90AB1ALPLUSP2HTT
SCHEMBL3435989 0.84 MARS1 (0.46) HSP90AA1HSP90AB1USP2HTTKMT2A
SCHEMBL10049411 0.83 ALPL (0.54) CYP2C9CA12CA1CA2CA9
SCHEMBL3436590 0.82 CA12 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL3436656 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1CRHR1TP53
SCHEMBL3435623 0.76 MARS1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL2565586 0.76 MAPT (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TACR2

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 CYP1A2 4179/4885CYP3A4 4009/4885CYP2D6 4269/4885

“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.