Sugi Predict

Sugi Predict / Compounds / SCHEMBL1389641

SCHEMBL1389641

SCHEMBL1389641

CC(=O)N1CCN(S(=O)(=O)CCCCCCN)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMYD3 Q9H7B4 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PAOX Q6QHF9 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTR4 Q13639 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ THRB P10828 2/20 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
SCHEMBL963484 0.80 L3MBTL1 (0.40) L3MBTL1POLBNPSR1USP2CYP1A2
SCHEMBL1829452 0.80 L3MBTL1 (0.39) L3MBTL1POLBNPSR1USP2SMYD3
SCHEMBL18711919 0.78 ALDH1A1 (0.52) L3MBTL1POLBNPSR1USP2CYP1A2
SCHEMBL1389327 0.77 CA1 (0.39) POLBSMYD3KMT2ALMNATSHR
SCHEMBL12303023 0.77 POLB (0.58) L3MBTL1POLBNPSR1CYP1A2TDP1
SCHEMBL1389439 0.75 CA1 (0.43) POLBUSP2SMYD3KMT2AALDH1A1
SCHEMBL1389573 0.75 CA1 (0.43) POLBUSP2SMYD3KMT2AALDH1A1
SCHEMBL13585058 0.73 PMP22 (0.45) L3MBTL1POLBNPSR1USP2CYP1A2
SCHEMBL1768538 0.73 PMP22 (0.45) L3MBTL1POLBNPSR1USP2CYP1A2
SCHEMBL1389415 0.73 LMNA (0.46) L3MBTL1POLBSMYD3CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006426-B2 Squaric acid derivatives as inhibitors of the nicotinamide TOPOTARGET A/S (DK) 2015-04-14 — — US disclosed
US-20140357599-A1 NOVEL UREA AND THIOUREA DERIVATIVES ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2014-12-04 — — US disclosed
US-8871747-B2 Urea and thiourea derivatives TOPOTARGET A/S (DK) 2014-10-28 — — US disclosed
US-20120225847-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2012-09-06 — — US disclosed
US-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES MCDERMOTT WILL & EMERY LLP (DC) 2012-01-12 — — US disclosed
WO-2009086835-A1 NOVEL CYANOGUANIDINES TOPOTARGET A/S (DK) 2009-07-16 — — WO 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-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES TST, NAMPT, NNMT L3MBTL1 1303/4885POLB 1393/4885NPSR1 1377/4885
US-20140357599-A1 NOVEL UREA AND THIOUREA DERIVATIVES TST, NAMPT, NNMT L3MBTL1 1303/4885POLB 1393/4885NPSR1 1377/4885
US-20120225847-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE SUCNR1, NAMPT, NAPRT L3MBTL1 1437/4885POLB 2623/4885NPSR1 364/4885

“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.