Sugi Predict

Sugi Predict / Compounds / SCHEMBL7812261

SCHEMBL7812261

SCHEMBL7812261

CS(=O)(=O)c1cccc(-c2ccc([C@@H](O)[C@@H](N)c3ccc(Cl)c(Cl)c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ SLC6A2 P23975 2/20 0.52
▸ SLC6A4 P31645 2/20 0.52
▸ SLC6A3 Q01959 2/20 0.52
▸ PTPN5 P54829 4/20 0.44
▸ PTGES2 Q9H7Z7 5/20 0.42
▸ NR1H2 P55055 4/20 0.42
▸ NR1H3 Q13133 4/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ RXRA P19793 3/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL7808707 0.93 CYP3A4 (0.57) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2833265 0.88 RORC (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7803915 0.88 RORC (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7812854 0.87 SLC6A2 (0.47) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2873110 0.86 SLC6A2 (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7803663 0.86 CYP3A4 (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2873111 0.86 SLC6A2 (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2833084 0.84 PIK3CG (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7813199 0.84 PIK3CG (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7813919 0.78 DPP4 (0.46) CYP3A4CYP2D6PTPN5PTGES2MEN1

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 CYP3A4 1043/4885CYP2D6 767/4885SLC6A2 13/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CYP3A4 1043/4885CYP2D6 767/4885SLC6A2 13/4885

“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.