Sugi Predict

Sugi Predict / Compounds / SCHEMBL944452

SCHEMBL944452

SCHEMBL944452

CCCC/N=C1\SCC(=O)N1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ALDH1A1 P00352 7/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ S1PR1 P21453 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ EGFR P00533 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ GAA P10253 2/20 0.41

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
SCHEMBL944453 1.00 L3MBTL1 (0.53) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL945524 0.92 L3MBTL1 (0.56) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL945525 0.92 L3MBTL1 (0.56) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL947761 0.85 L3MBTL1 (0.70) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL947759 0.85 L3MBTL1 (0.70) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL945878 0.83 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL945876 0.83 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11504089 0.80 S1PR1 (0.42) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL946887 0.78 KMT2A (0.48) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL946886 0.78 KMT2A (0.48) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912340-B2 Process for the preparation of 2-imino-thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-16 — — US claimed
EP-2094676-B1 NEW PROCESS FOR THE PREPARATION OF 2-IMINOTHIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 — — EP claimed
US-20120302758-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 — — US claimed
EP-2489662-A1 New process for the preparation of 2-imino-thiazolidin-4-one derivatives Actelion Pharmaceuticals Ltd. (CH) 2012-08-22 — — EP claimed
US-20110201821-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATES VANDA PHARMACEUTICALS INC. 2011-08-18 — — US claimed
US-20100317867-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-16 — — US claimed
JP-2010510976-A — — 2010-04-08 — — JP claimed
EP-2094676-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 — — EP claimed
WO-2008062376-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 — — WO claimed
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 — — US disclosed
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 — — US disclosed
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 — — US disclosed
US-8912340-B2 Process for the preparation of 2-imino-thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-16 — — US disclosed
US-8912340-B2 Process for the preparation of 2-imino-thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-16 — — US disclosed
WO-2008062376-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 — — WO disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 — — US disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 — — US disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 — — US disclosed
EP-1689726-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS Actelion Pharmaceuticals Ltd. (CH) 2006-08-16 — — EP disclosed
WO-2005054215-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2005-06-16 — — 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 (4 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-20100317867-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES IL4, IL15, IL2 L3MBTL1 4830/4885ALDH1A1 1222/4885NPC1 3850/4885
US-20110201821-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATES IL4, IL2, IL15 L3MBTL1 4786/4885ALDH1A1 1004/4885NPC1 4202/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 L3MBTL1 4211/4885ALDH1A1 671/4885NPC1 1018/4885
US-20120302758-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES IL4, IL15, IL2 L3MBTL1 4830/4885ALDH1A1 1222/4885NPC1 3850/4885

“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.