SCHEMBL4600752

SCHEMBL4600752

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 2/20 0.37
TSHR P16473 1/20 0.37
NR4A2 P43354 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
SRR Q9GZT4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30510366 1.00 CTRB1 (0.40) CTRB1PPARGPPARAMAPTCYP1A2
SCHEMBL4600067 1.00 CTRB1 (0.40) CTRB1PPARGPPARAMAPTCYP1A2
SCHEMBL5407004 1.00 CTRB1 (0.40) CTRB1PPARGPPARAMAPTCYP1A2
SCHEMBL25177964 0.93 ATM (0.39) PPARGPPARAHTTITGB1ITGA4
SCHEMBL5403825 0.93 ITGA4 (0.42) PPARGPPARAMAPTITGB1ITGA4
SCHEMBL30767800 0.93 ATM (0.39) PPARGPPARAHTTITGB1ITGA4
SCHEMBL25185914 0.92 ITGB1 (0.39) CTRB1PPARGPPARAMAPTITGB1
SCHEMBL3834577 0.92 MEN1 (0.38) PPARGPPARAITGB1ITGA4NPC1
SCHEMBL7105951 0.92 NPC1 (0.38) CTRB1PPARGPPARACYP1A2TSHR
SCHEMBL4192845 0.92 C5AR1 (0.43) PPARGPPARAITGB1ITGA4ADAMTS5

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174714-A1 TREATMENT OF SKIN DISORDERS BACOBA AG (CH) 2024-05-30 US disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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 (6 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 CTRB1 3724/4885PPARG 712/4885PPARA 1271/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CTRB1 1975/4885PPARG 4292/4885PPARA 3880/4885
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CTRB1 1182/4885PPARG 810/4885PPARA 448/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CTRB1 1366/4885PPARG 499/4885PPARA 480/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS CTRB1 422/4885PPARG 3626/4885PPARA 3079/4885
US-20240174714-A1 TREATMENT OF SKIN DISORDERS HRH4, NR1H4, NR1H3 CTRB1 1187/4885PPARG 2788/4885PPARA 2488/4885

“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.