Sugi Predict

Sugi Predict / Compounds / SCHEMBL4665558

SCHEMBL4665558

SCHEMBL4665558

O=C(N[C@@H](CO)c1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 2/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ CYP1A2 P05177 3/20 0.54
▸ CTSL P07711 1/20 0.54
▸ CTSS P25774 1/20 0.54
▸ EPHX2 P34913 2/20 0.52
▸ ATM Q13315 2/20 0.52
▸ CYP3A4 P08684 6/20 0.51
▸ TSHR P16473 4/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ CASP1 P29466 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TACR1 P25103 1/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL4998172 1.00 CTRB1 (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7134978 1.00 CTRB1 (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL12195405 0.93 KLK1 (0.58) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL8162994 0.90 CTRB1 (0.49) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL12126864 0.90 ROCK2 (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL12195401 0.90 CTSK (0.49) CTRB1CTSLCTSSATMLMNA
SCHEMBL16553624 0.90 CTRB1 (0.49) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL29944675 0.90 TP53 (0.60) CTRB1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29944673 0.90 TP53 (0.60) CTRB1ALDH1A1SMN1; SMN2LMNA
SCHEMBL12195404 0.89 PRKCA (0.54) CTSS

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
US-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 — — US disclosed
US-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 — — US disclosed
US-20130274479-A1 AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 — — US disclosed
US-20080306110-A1 Alkylnitrile Quinolines as Nk-3 Receptor Ligands ASTRAZENECA AB (SE) 2008-12-11 — — US disclosed
US-20080306110-A1 Alkylnitrile Quinolines as Nk-3 Receptor Ligands ASTRAZENECA AB (SE) 2008-12-11 — — US disclosed
US-20080306110-A1 Alkylnitrile Quinolines as Nk-3 Receptor Ligands ASTRAZENECA AB (SE) 2008-12-11 — — US disclosed
EP-1928834-A1 ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-06-11 — — EP disclosed
WO-2007035157-A1 ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 — — WO disclosed
WO-2007035157-A1 ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 — — WO disclosed
EP-0811616-B1 Salts of 3-(2-(4-(4-(Amino-imino-methyl)-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetylamino)-3-phenyl-propionic acid ethylester AVENTIS PHARMA GMBH (DE) 2005-05-04 — — EP disclosed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 — — US disclosed
EP-0729460-B1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AG (DE) 2002-05-15 — — EP disclosed
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 — — EP disclosed
US-6294562-B1 AMIDINO COMPOUNDS WITH AMIDO ESTERS CARDIOVASCULAR SYSTEM, DISEASES OF THE CORONARY VASCULAR SYSTEM OR THE CEREBROVASCULAR SYSTEM, OR PERIPHERAL ARTERIAL VASCULAR DISEASE HOECHST AKTIENGESELLSCHAFT (DE) 2001-09-25 — — US disclosed
US-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 — — US disclosed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 — — WO disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 — — US disclosed
EP-0811616-A1 Salts of 3-(2-(4-(4-(Amino-imino-methyl)-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetylamino)-3-phenyl-propionic acid ethylester HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-10 — — EP disclosed
EP-0729460-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-04 — — EP disclosed
WO-1995014008-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-26 — — 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 (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-20130274479-A1 AMINOHYDROXYLATION OF ALKENES ALKBH3, ALKBH1, ALKBH2 CTRB1 2198/4885ALDH1A1 197/4885CYP1A2 115/4885
US-20080306110-A1 Alkylnitrile Quinolines as Nk-3 Receptor Ligands KCNQ3, TACR2, TACR3 CTRB1 3058/4885ALDH1A1 1877/4885CYP1A2 1280/4885

“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.