Sugi Predict

Sugi Predict / Compounds / SCHEMBL7809794

SCHEMBL7809794

SCHEMBL7809794

N[C@@H](c1ccc(C(F)(F)F)c(F)c1)[C@H](O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.43
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ ERN1 O75460 1/20 0.40
▸ CYP11B1 P15538 4/20 0.40
▸ KDR P35968 2/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ CFTR P13569 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ SYK P43405 1/20 0.37

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
SCHEMBL2838289 1.00 CYP11B2 (0.43) CYP11B2AKR1C3AKR1C2ERN1CYP11B1
SCHEMBL7804274 0.85 CYP11B2 (0.50) CYP11B2CYP11B1KIF11
SCHEMBL2836844 0.85 CYP11B2 (0.50) CYP11B2CYP11B1KIF11
SCHEMBL7804200 0.83 MKNK1 (0.45) AKR1C3AKR1C2KDRMKNK1MKNK2
SCHEMBL2841598 0.83 AKR1C3 (0.44) AKR1C3AKR1C2ERN1KIF11MKNK1
SCHEMBL7813197 0.83 AKR1C3 (0.44) AKR1C3AKR1C2ERN1KIF11MKNK1
SCHEMBL7809713 0.82 NPC1 (0.49) KDRKIF11MKNK1MKNK2
SCHEMBL2838997 0.82 NPC1 (0.49) KDRKIF11MKNK1MKNK2
SCHEMBL27663805 0.78 CYP11B2 (0.66) CYP11B2ERN1CYP11B1KIF11
SCHEMBL2838945 0.77 KDR (0.50) KDRMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 — — US disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 — — US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 — — US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 — — US disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 — — WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 — — US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 — — 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 (2 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP11B2 1430/4885AKR1C3 1313/4885AKR1C2 924/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP11B2 1430/4885AKR1C3 1313/4885AKR1C2 924/4885

“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.