SCHEMBL6184744

SCHEMBL6184744

COC(=O)[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.46
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
RORC P51449 1/20 0.42
TACR1 P25103 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
F2R P25116 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CETP P11597 1/20 0.41
PTPN1 P18031 1/20 0.41
PDE4B Q07343 1/20 0.40
P2RY14 Q15391 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
SCHEMBL28531832 0.90 CYP3A4 (0.42) CYP3A4MAPTMAPK1RORCTACR1
SCHEMBL24645690 0.88 HTRA1 (0.48) HTRA1MAPTRORCTACR1F2R
SCHEMBL6183705 0.88 HTRA1 (0.48) HTRA1MAPTRORCTACR1F2R
SCHEMBL28529255 0.88 HTRA1 (0.48) HTRA1MAPTRORCTACR1F2R
SCHEMBL29200075 0.88 HTRA1 (0.51) HTRA1CYP3A4MAPTMAPK1RORC
SCHEMBL23493148 0.87 HTRA1 (0.48) HTRA1CYP3A4POLBNR1H2NR1H3
SCHEMBL14254719 0.85 HTRA1 (0.60) HTRA1CYP3A4RORCPOLBNR1H2
SCHEMBL15718883 0.85 HTRA1 (0.60) HTRA1CYP3A4RORCPOLBNR1H2
SCHEMBL4197492 0.85 HTRA1 (0.60) HTRA1CYP3A4RORCPOLBNR1H2
SCHEMBL4186761 0.85 HTRA1 (0.60) HTRA1CYP3A4RORCPOLBNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256166-A1 Nitrogen-containing compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 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-20050256166-A1 Nitrogen-containing compounds DPP4, DPP3, DPP8 HTRA1 3743/4885CYP3A4 914/4885MAPT 2743/4885

“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.