Sugi Predict

Sugi Predict / Compounds / SCHEMBL7804200

SCHEMBL7804200

SCHEMBL7804200

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 6/20 0.45
▸ MKNK2 Q9HBH9 6/20 0.45
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ EPHB4 P54760 1/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ CYP2A6 P11509 3/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ CYP17A1 P05093 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL2838945 0.89 KDR (0.50) MKNK1MKNK2KDRCYP2A6NPY5R
SCHEMBL7804180 0.89 KDR (0.50) MKNK1MKNK2KDRCYP2A6NPY5R
SCHEMBL2836766 0.85 MKNK1 (0.45) MKNK1MKNK2KDRCYP2A6NPY5R
SCHEMBL7804208 0.85 MKNK1 (0.45) MKNK1MKNK2KDRCYP2A6NPY5R
SCHEMBL7813197 0.85 AKR1C3 (0.44) MKNK1MKNK2AKR1C3AKR1C2CYP2A6
SCHEMBL2841598 0.85 AKR1C3 (0.44) MKNK1MKNK2AKR1C3AKR1C2CYP2A6
SCHEMBL7811151 0.84 CYP11B2 (0.37) MKNK1MKNK2CYP17A1CYP3A4
SCHEMBL2833720 0.84 CYP11B2 (0.37) MKNK1MKNK2CYP17A1CYP3A4
SCHEMBL2838289 0.83 CYP11B2 (0.43) MKNK1MKNK2AKR1C3AKR1C2KDR
SCHEMBL7809794 0.83 CYP11B2 (0.43) MKNK1MKNK2AKR1C3AKR1C2KDR

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 MKNK1 3432/4885MKNK2 3630/4885AKR1C3 1313/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MKNK1 3432/4885MKNK2 3630/4885AKR1C3 1313/4885

“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.