Sugi Predict

Sugi Predict / Compounds / SCHEMBL1625828

SCHEMBL1625828

SCHEMBL1625828

C[C@@H](O)[C@](C)(N)CCc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 5/20 0.49
▸ S1PR1 P21453 5/20 0.49
▸ S1PR3 Q99500 5/20 0.49
▸ S1PR5 Q9H228 5/20 0.49
▸ PPARG P37231 5/20 0.45
▸ BCL2 P10415 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PPARA Q07869 4/20 0.44
▸ CASR P41180 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ PPARD Q03181 2/20 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
SCHEMBL1626906 1.00 S1PR4 (0.49) S1PR4S1PR1S1PR3S1PR5PPARG
SCHEMBL1628368 0.86 FFAR1 (0.52) S1PR4S1PR1S1PR3S1PR5PPARG
SCHEMBL3979299 0.86 FFAR1 (0.52) S1PR4S1PR1S1PR3S1PR5PPARG
SCHEMBL1625282 0.86 FFAR1 (0.52) S1PR4S1PR1S1PR3S1PR5PPARG
SCHEMBL1625875 0.85 FFAR1 (0.51) S1PR4S1PR1S1PR3S1PR5FFAR1
SCHEMBL1626412 0.80 S1PR1 (0.62) S1PR4S1PR1S1PR3S1PR5
SCHEMBL13844525 0.80 S1PR1 (0.62) S1PR4S1PR1S1PR3S1PR5
SCHEMBL1626931 0.80 S1PR1 (0.62) S1PR4S1PR1S1PR3S1PR5
SCHEMBL1626974 0.80 S1PR1 (0.62) S1PR4S1PR1S1PR3S1PR5
SCHEMBL1624918 0.80 S1PR1 (0.62) S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 — — EP claimed
US-20070225260-A1 Amino-Propanol Derivatives NOVARTIS AG (CH) 2007-09-27 — — US claimed
EP-1753712-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2007-02-21 — — EP claimed
WO-2005118523-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-15 — — WO claimed
EP-2100886-B1 Production of trimeric polyisocyanates BAYER IP GMBH (DE) 2015-08-19 — — EP disclosed
US-8097691-B2 Preparation of polyisocyanates of the trimer type BAYER MATERIALSCIENCE AG (DE) 2012-01-17 — — US disclosed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 — — US disclosed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 — — US disclosed
US-7928093-B2 Amino-propanol derivatives NOVARTIS AG (CH) 2011-04-19 — — US disclosed
US-20090234091-A1 PREPARATION OF POLYISOCYANATES OF THE TRIMER TYPE BAYER MATERIALSCIENCE AG (DE) 2009-09-17 — — US disclosed
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 — — EP disclosed
EP-1753712-B1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-05-13 — — EP disclosed
US-20090012333-A1 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenating glycolaldehyde; catalyst selectivity; cost efficiency ALMEIDA LENERO KARINA QUETZALY 2009-01-08 — — US disclosed
US-7449607-B2 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group SHELL OIL COMPANY (US) 2008-11-11 — — US disclosed
US-20070249871-A1 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group SHELL OIL COMPANY (US) 2007-10-25 — — US disclosed
US-20070225260-A1 Amino-Propanol Derivatives NOVARTIS AG (CH) 2007-09-27 — — US disclosed
US-20070225260-A1 Amino-Propanol Derivatives NOVARTIS AG (CH) 2007-09-27 — — US disclosed
US-20070225260-A1 Amino-Propanol Derivatives NOVARTIS AG (CH) 2007-09-27 — — US disclosed
EP-1753712-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2007-02-21 — — EP disclosed
WO-2005118523-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-15 — — 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-20090012333-A1 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenating glycolaldehyde; catalyst selectivity; cost efficiency H1-0, H1-2, H1-10 S1PR4 2226/4885S1PR1 1852/4885S1PR3 1942/4885
US-20070249871-A1 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group PHOSPHO1, H1-2, H1-0 S1PR4 943/4885S1PR1 513/4885S1PR3 1014/4885
US-20070225260-A1 Amino-Propanol Derivatives ADRB1, ADRB3, ARG1 S1PR4 2354/4885S1PR1 1545/4885S1PR3 877/4885

“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.