SCHEMBL5545260

SCHEMBL5545260

CN1CCC/C(C(=O)O)=C\c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.44
PARP1 P09874 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
NOTUM Q6P988 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
P2RX1 P51575 2/20 0.36
P2RX3 P56373 2/20 0.36
P2RX4 Q99571 2/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5545264 1.00 TNKS (0.44) TNKSPARP1TNKS2NOTUMSMN1; SMN2
SCHEMBL5549419 0.80 TNKS (0.41) TNKSPARP1TNKS2MEN1KMT2A
SCHEMBL5549424 0.80 TNKS (0.41) TNKSPARP1TNKS2MEN1KMT2A
SCHEMBL17870853 0.80 MEN1 (0.44) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL19747069 0.80 MEN1 (0.44) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL17870841 0.79 PIK3CD (0.42) KDM4EALDH1A1GAACHRM2CHRM4
SCHEMBL17870863 0.79 PIK3CD (0.42) KDM4EALDH1A1GAACHRM2CHRM4
SCHEMBL5549420 0.76 TNKS (0.38) TNKSPARP1TNKS2SMN1; SMN2MEN1
SCHEMBL5549425 0.76 TNKS (0.38) TNKSPARP1TNKS2SMN1; SMN2MEN1
SCHEMBL5549422 0.76 TNKS (0.38) TNKSPARP1TNKS2SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20050096475-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
US-6864367-B2 Process for producing cyclic compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-08 US disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US disclosed
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 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 (2 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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 TNKS 4867/4885PARP1 3436/4885TNKS2 4714/4885
US-20050096475-A1 Process for producing cyclic compound SLC39A11, CYP4F11, WEE1 TNKS 4835/4885PARP1 2948/4885TNKS2 4744/4885

“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.