Sugi Predict

Sugi Predict / Compounds / SCHEMBL3955019

SCHEMBL3955019

SCHEMBL3955019

COc1cc(CC(=O)N2C(=O)OC[C@H]2C(C)C)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ IL6ST P40189 5/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39

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
SCHEMBL3952315 1.00 CYP2C9 (0.48) CYP2C9CYP2C19MAPK1CYP1A2IL6ST
SCHEMBL3952320 1.00 CYP2C9 (0.48) CYP2C9CYP2C19MAPK1CYP1A2IL6ST
SCHEMBL5108652 0.87 HTT (0.51) CYP2C19MAPK1IL6STSMN1; SMN2LMNA
SCHEMBL14032439 0.87 HTT (0.51) CYP2C19MAPK1IL6STSMN1; SMN2LMNA
SCHEMBL5108649 0.87 HTT (0.51) CYP2C19MAPK1IL6STSMN1; SMN2LMNA
SCHEMBL15516020 0.86 IL6ST (0.45) IL6STSMN1; SMN2STAT3ALDH1A1
SCHEMBL15506112 0.86 IL6ST (0.45) IL6STSMN1; SMN2STAT3ALDH1A1
SCHEMBL17694474 0.82 IL6ST (0.42) IL6STLMNASTAT3
SCHEMBL3955785 0.80 IL6ST (0.49) CYP2C9CYP2C19MAPK1CYP1A2IL6ST
SCHEMBL3948400 0.80 IL6ST (0.49) CYP2C9CYP2C19MAPK1CYP1A2IL6ST

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776404-B1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE UNIV CONNECTICUT (US) 2016-07-06 — — EP disclosed
US-8853228-B2 Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase UNIVERSITY OF CONNECTICUT (US) 2014-10-07 — — US disclosed
US-8853228-B2 Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase UNIVERSITY OF CONNECTICUT (US) 2014-10-07 — — US disclosed
US-8853228-B2 Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase UNIVERSITY OF CONNECTICUT (US) 2014-10-07 — — US disclosed
EP-2776404-A1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE University of Connecticut (US) 2014-09-17 — — EP disclosed
WO-2013070620-A1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE UNIVERSITY OF CONNECTICUT (US) 2013-05-16 — — WO disclosed
US-8426432-B2 Inhibitors of dihydrofolate reductase with antibacterial antiprotozoal, antifungal and anticancer properties UNIVERSITY OF CONNECTICUT (US) 2013-04-23 — — US disclosed
US-8426432-B2 Inhibitors of dihydrofolate reductase with antibacterial antiprotozoal, antifungal and anticancer properties UNIVERSITY OF CONNECTICUT (US) 2013-04-23 — — US disclosed
US-8426432-B2 Inhibitors of dihydrofolate reductase with antibacterial antiprotozoal, antifungal and anticancer properties UNIVERSITY OF CONNECTICUT (US) 2013-04-23 — — US disclosed
US-20120196859-A1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE UNIVERSITY OF CONNECTICUT 2012-08-02 — — US disclosed
US-20120196859-A1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE UNIVERSITY OF CONNECTICUT 2012-08-02 — — US disclosed
US-20120196859-A1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE UNIVERSITY OF CONNECTICUT 2012-08-02 — — US disclosed
US-20090105287-A1 Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties UNIVERSITY OF CONNECTICUT (US) 2009-04-23 — — US disclosed
US-20090105287-A1 Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties UNIVERSITY OF CONNECTICUT (US) 2009-04-23 — — US disclosed
US-20090105287-A1 Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties UNIVERSITY OF CONNECTICUT (US) 2009-04-23 — — US disclosed
WO-2009025919-A2 5-PROPARGYL-PYRIMIDINE DERIVATIVES AS INHIBITORS OF DIHYDROFOLATE REDUCTASE WITH ANTIBACTERIAL ANTIPROTOZOAL, ANTIFUNGAL AND ANTICANCER PROPERTIES UNIVERSITY OF CONNECTICUT (US) 2009-02-26 — — 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-20090105287-A1 Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties DHFR, DPYD, DHODH CYP2C9 468/4885CYP2C19 307/4885MAPK1 3218/4885
US-20120196859-A1 HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE DHFR, DPYD, DHODH CYP2C9 489/4885CYP2C19 338/4885MAPK1 3312/4885

“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.