SCHEMBL3585644

SCHEMBL3585644

COC(=O)CCc1c(Cl)cc2nn(C)cc2c1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90B1 P14625 7/20 0.35
PLA2G2A P14555 1/20 0.35
HPGD P15428 2/20 0.34
KAT2B Q92831 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
EGFR P00533 1/20 0.34
PGK1 P00558 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL3577079 0.86 TSHR (0.36) TSHRHSP90B1PLA2G2AHPGDMAPK1
SCHEMBL3568981 0.79 KMT2A (0.39) TSHRGLAKMT2APLA2G2AHPGD
SCHEMBL3577777 0.78 KDM4E (0.35) TSHRKMT2AHPGDKDM4EALDH1A1
SCHEMBL31487628 0.76 KAT2B (0.38) KAT2BALDH1A1PDE3BPDE3A
SCHEMBL31487629 0.76 KAT2B (0.38) KAT2BALDH1A1PDE3BPDE3A
SCHEMBL3582258 0.75 KDM4E (0.36) TSHRGLAKMT2AHPGDKDM4E
SCHEMBL3582253 0.75 KDM4E (0.36) TSHRGLAKMT2AHPGDKDM4E
SCHEMBL544004 0.74 KMT2A (0.41) TSHRGLAKMT2APLA2G2AHPGD
SCHEMBL31487565 0.70 KAT2B (0.32) KAT2BPGK1
SCHEMBL3576279 0.69 PLA2G2A (0.36) TSHRGLAKMT2APLA2G2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 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-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH TSHR 328/4885GLA 2136/4885KMT2A 518/4885

“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.