SCHEMBL3577079

SCHEMBL3577079

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
PLA2G2A P14555 1/20 0.35
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CASP3 P42574 1/20 0.34
HSP90B1 P14625 6/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
HSP90AA1 P07900 2/20 0.32
CHRM1 P11229 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3585644 0.86 TSHR (0.36) TSHRPLA2G2AMAPK1HPGDPDE3B
SCHEMBL3576279 0.79 PLA2G2A (0.36) TSHRPLA2G2AHPGDALDH1A1MAOA
SCHEMBL3577777 0.78 KDM4E (0.35) TSHRHPGDCASP3ALDH1A1CYP11B1
SCHEMBL3581574 0.75 KMT2A (0.32) PLA2G2AHPGDALDH1A1MAOAMAOB
SCHEMBL3581580 0.75 KMT2A (0.32) PLA2G2AHPGDALDH1A1MAOAMAOB
SCHEMBL544148 0.74 MAOA (0.41) PLA2G2AHPGDALDH1A1MAOAMAOB
SCHEMBL3568981 0.69 KMT2A (0.39) TSHRPLA2G2AHPGDALDH1A1EGFR
SCHEMBL21986694 0.67 MEN1 (0.41) PLA2G2AHPGDALDH1A1KDM4EHSD17B10
SCHEMBL31487629 0.67 KAT2B (0.38) PDE3BPDE3AALDH1A1
SCHEMBL31487628 0.67 KAT2B (0.38) PDE3BPDE3AALDH1A1

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 328/4885PLA2G2A 3890/4885MAPK1 3363/4885

“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.