SCHEMBL8215109

SCHEMBL8215109

O=C(NCc1ccc(-c2ccc(F)cc2OCCN2CCOCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ KDR P35968 3/20 0.44
▸ FLT3 P36888 3/20 0.44
▸ SRC P12931 2/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40

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
SCHEMBL8274902 0.90 KDM4E (0.57) KDM4ESRCKMT2APOLBL3MBTL1
SCHEMBL8215192 0.85 PTGDR2 (0.43) KMT2APOLB
SCHEMBL8222308 0.85 ADAM17 (0.41) POLBKCNH2
SCHEMBL8215091 0.84 MTTP (0.42) HTR2A
SCHEMBL8223926 0.83 ADAM17 (0.41) POLB
SCHEMBL8276794 0.80 ADAM17 (0.45) —
SCHEMBL8273723 0.80 KMT2A (0.42) KDM4EHDAC1KMT2A
SCHEMBL8273552 0.79 ADAM17 (0.43) HDAC1
SCHEMBL8274869 0.78 KDM4E (0.57) KDM4ESRCKMT2APOLBL3MBTL1
SCHEMBL8220591 0.78 ADAM17 (0.49) KDM4EKMT2AAURKAHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — US 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-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF KDM4E 4317/4885KDR 2627/4885FLT3 2678/4885

“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.

Send feedback