SCHEMBL4177645

SCHEMBL4177645

COc1cc(O)c(C(=O)O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HMGCR P04035 1/20 0.47
PYGL P06737 2/20 0.47
TPMT P51580 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPK1 P28482 1/20 0.46
NOD2 Q9HC29 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL4445888 0.88 GAA (0.49) HTTKDM4EMAPTHPGDLMNA
SCHEMBL3836141 0.86 MAPT (0.64) HTTKDM4EMAPTHPGDLMNA
SCHEMBL1743592 0.85 ALDH1A1 (0.51) HTTKDM4EHPGDHSD17B10TPMT
SCHEMBL3645035 0.85 HTT (0.72) HTTKDM4EMAPTHPGDLMNA
SCHEMBL3617721 0.85 ALDH1A1 (0.55) HTTKDM4EMAPTHPGDCYP3A4
SCHEMBL2730020 0.85 ALDH1A1 (0.49) HTTKDM4EMAPTHPGDLMNA
SCHEMBL1038769 0.84 HTT (0.70) HTTKDM4EMAPTHPGDLMNA
SCHEMBL28252586 0.84 HTT (0.70) HTTKDM4EMAPTHPGDLMNA
SCHEMBL2793251 0.84 GAA (0.58) HTTKDM4EMAPTHPGDLMNA
SCHEMBL20724883 0.82 HTT (0.57) HTTKDM4EMAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed
US-10905665-B2 Chemical modulators of signaling pathways and therapeutic use DUKE UNIVERSITY (US) 2021-02-02 US disclosed
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE DUKE UNIVERSITY 2020-02-06 US disclosed
EP-3092307-B1 MELLEOLIDE-BIOSYNTHESIS GENE CLUSTER AND ITS APPLICATION FRAUNHOFER GES FORSCHUNG (DE) 2019-07-03 EP disclosed
US-10011821-B2 Melleolide-biosynthesis gene cluster and its applications Fraunhofer-Gesellschaft zur Foerderung der angewandten Forshung e. V. (DE) 2018-07-03 US disclosed
US-20160319251-A1 MELLEOLIDE-BIOSYNTHESIS GENE CLUSTER AND ITS APPLICATIONS FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E. V. (DE) 2016-11-03 US disclosed
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
EP-2069355-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-06-17 EP disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
WO-2008010765-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-01-24 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 (4 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-20080167332-A1 Novel Compounds 243 UGT1A10, ABCG2, VKORC1L1 HTT 1268/4885KDM4E 2805/4885MAPT 3192/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 HTT 3584/4885KDM4E 4622/4885MAPT 4798/4885
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE SFRP1, FZD7, WNT1 HTT 4702/4885KDM4E 2637/4885MAPT 3433/4885
US-10905665-B2 Chemical modulators of signaling pathways and therapeutic use SFRP1, FZD7, WNT1 HTT 4702/4885KDM4E 2637/4885MAPT 3433/4885

“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.