SCHEMBL16558747

SCHEMBL16558747

O=C1c2ccc(CO)c(Cl)c2CC1Cc1ncccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ CYP19A1 P11511 1/20 0.35
▸ SSTR4 P31391 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
SCHEMBL16558740 0.85 METAP1 (0.39) P2RX7METAP1CYP19A1SSTR4
SCHEMBL16552796 0.83 CYP19A1 (0.44) P2RX7METAP1CYP19A1
SCHEMBL16558741 0.81 HTR1A (0.38) P2RX7CYP19A1SSTR4
SCHEMBL16558737 0.78 CYP19A1 (0.37) P2RX7METAP1CYP19A1SSTR4
SCHEMBL16558745 0.77 CYP19A1 (0.43) P2RX7METAP1CYP19A1SSTR4
SCHEMBL16552907 0.76 ACHE (0.46) METAP1CYP19A1
SCHEMBL16558734 0.72 CYP19A1 (0.37) CYP19A1
SCHEMBL16558744 0.71 ACHE (0.38) —
SCHEMBL16552693 0.70 CYP19A1 (0.58) METAP1CYP19A1
SCHEMBL16552897 0.70 PDE4D (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446047-B2 Substituted 2,3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2016-09-20 — — US disclosed
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 — — US disclosed
US-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 — — US disclosed
US-9359315-B2 Substituted 2,3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2016-06-07 — — US disclosed
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2015-03-12 — — 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 (3 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-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC P2RX7 1786/4885METAP1 3605/4885CYP19A1 246/4885
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC P2RX7 1786/4885METAP1 3605/4885CYP19A1 246/4885
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC P2RX7 1786/4885METAP1 3605/4885CYP19A1 246/4885

“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