SCHEMBL125390

SCHEMBL125390

COC(=O)CCc1ncc(O)c(C(=O)OC)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EGFR P00533 2/20 0.37
▸ HSP90B1 P14625 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 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
SCHEMBL124467 0.81 MEN1 (0.46) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL21827176 0.78 KDM4E (0.41) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL28352403 0.76 P2RX3 (0.49) KDM4EHPGDALDH1A1SMN1; SMN2HSP90B1
SCHEMBL29528921 0.76 P2RX3 (0.49) KDM4EHPGDALDH1A1SMN1; SMN2HSP90B1
SCHEMBL31168612 0.74 KDM4E (0.41) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL31168603 0.73 AGBL2 (0.42) KDM4ECA12CA2CA7CA9
SCHEMBL31168685 0.73 EGFR (0.48) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL28352405 0.71 P2RX3 (0.55) KDM4EHPGDALDH1A1SMN1; SMN2HSP90B1
SCHEMBL21827960 0.70 LMNA (0.38) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8825478 0.69 ALDH1A1 (0.53) KDM4ECA12CA1CA7CA14

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
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 — — EP disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 — — EP disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 — — US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 — — US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 — — US disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 — — EP disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 — — 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-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF MTNR1A, MTNR1B, AHR KDM4E 1150/4885CA12 1263/4885CA1 1493/4885

“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.

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