Sugi Predict

Sugi Predict / Compounds / SCHEMBL775505

SCHEMBL775505

SCHEMBL775505

CCCCCCCCCCCCCCC(N)(CO)CO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNNC1 P63316 6/20 0.58
▸ S1PR1 P21453 2/20 0.58
▸ SGPL1 O95470 1/20 0.58
▸ S1PR4 O95977 1/20 0.58
▸ GPR183 P32249 1/20 0.58
▸ CERS2 Q96G23 1/20 0.58
▸ S1PR3 Q99500 1/20 0.58
▸ S1PR5 Q9H228 1/20 0.58
▸ SMPD1 P17405 4/20 0.48
▸ FDPS P14324 2/20 0.48
▸ SPHK2 Q9NRA0 2/20 0.45
▸ SPHK1 Q9NYA1 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL1117529 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL1132557 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL1170551 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL8498308 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL1117911 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL6256417 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL1170609 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL1170886 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL1117584 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL1170487 1.00 TNNC1 (0.58) TNNC1S1PR1SGPL1S1PR4GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121162-A1 NITRATED HYDROCARBONS AND DERIVATIVES ANGUS CHEMICAL COMPANY (US) 2017-01-25 — — EP claimed
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2016-02-11 — — US claimed
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist NOVARTIS AG (CH) 2015-03-26 — — US claimed
US-20120071446-A1 DOSAGE REGIMEN OF AN S1P RECEPTOR AGONIST KOVARIK JOHN M (CH) 2012-03-22 — — US claimed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 — — US claimed
US-20090275553-A1 DOSAGE REGIMEN OF AN S1P RECEPTOR AGONIST KOVARIK JOHN M 2009-11-05 — — US claimed
US-20080221200-A1 Combination of Organic Compounds ALLISON MALCOLM 2008-09-11 — — US claimed
EP-1940388-A2 DPP IV INHIBTOR FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND GRAFT REJECTION Novartis AG (CH) 2008-07-09 — — EP claimed
WO-2007041368-A2 DPP IV INHIBITOR FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND GRAFT REJECTION NOVARTIS AG (CH) 2007-04-12 — — WO claimed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 — — EP claimed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 — — EP claimed
US-20250262171-A1 DOSAGE REGIMEN FOR A S1P RECEPTOR AGONIST NOVARTIS AG (CH) 2025-08-21 — — US disclosed
EP-4098256-B9 DOSAGE REGIMEN FOR A S1P RECEPTOR AGONIST NOVARTIS AG (CH) 2025-06-18 — — EP disclosed
EP-4098256-B1 DOSAGE REGIMEN FOR A S1P RECEPTOR AGONIST NOVARTIS AG (CH) 2025-02-26 — — EP disclosed
CN-117065037-A Pharmaceutical compositions comprising S1P modulators 诺华股份有限公司 2023-11-17 — — CN disclosed
WO-1998022100-A2 NEW USE FOR 1,3-PROPANEDIOL DERIVATIVES NOVARTIS AG (CH) 1998-05-28 — — WO disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US disclosed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 — — EP disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 — — US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 — — EP 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 (6 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-20080221200-A1 Combination of Organic Compounds DPP4, DPP3, DPP7 TNNC1 2610/4885S1PR1 1727/4885SGPL1 686/4885
US-20250262171-A1 DOSAGE REGIMEN FOR A S1P RECEPTOR AGONIST S1PR1, S1PR4, S1PR2 TNNC1 4530/4885S1PR1 1/4885SGPL1 14/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 TNNC1 788/4885S1PR1 3544/4885SGPL1 4077/4885
US-20090275553-A1 DOSAGE REGIMEN OF AN S1P RECEPTOR AGONIST S1PR1, S1PR2, S1PR4 TNNC1 4767/4885S1PR1 1/4885SGPL1 19/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 TNNC1 788/4885S1PR1 3544/4885SGPL1 4077/4885
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist S1PR1, S1PR2, S1PR4 TNNC1 4767/4885S1PR1 1/4885SGPL1 19/4885

“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.