SCHEMBL2854051

SCHEMBL2854051

Oc1ccccc1Cc1c[nH]nn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.52
KEAP1 Q14145 1/20 0.43
IDO1 P14902 2/20 0.40
ESRRA P11474 1/20 0.40
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
KCNMA1 Q12791 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
AKR1B1 P15121 1/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CYP1A2 P05177 1/20 0.35
CA9 Q16790 1/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL1931499 0.87 HSPA5 (0.37) HSPA5KEAP1IDO1ESRRACYP2D6
SCHEMBL28898995 0.81 MPO (0.42) HSPA5IDO1CYP2D6TSHRHIF1A
SCHEMBL28758851 0.79 IDO1 (0.44) IDO1TSHRTAAR1CA12CA9
SCHEMBL12468870 0.79 IDO1 (0.40) IDO1TAAR1MPO
SCHEMBL11294215 0.78 ALDH1A1 (0.40) CYP2D6TSHRHIF1ACYP1A2
SCHEMBL2825597 0.76 DPP4 (0.43)
SCHEMBL8913075 0.76 KMT2A (0.40) IDO1
SCHEMBL1851278 0.75 GPR84 (0.62) CYP2D6TSHRTAAR1CYP1A2MPO
SCHEMBL4666774 0.75 CYP19A1 (0.39)
SCHEMBL29272 0.73 ALDH1A1 (0.46) CYP2D6TSHRTAAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220079936-A1 MULTI-ARM POLYMER PRODRUGS NEKTAR THERAPEUTICS (US) 2022-03-17 US disclosed
US-10463659-B2 Multi-arm polymer prodrugs NEKTAR THERAPEUTICS (US) 2019-11-05 US disclosed
US-20180021444-A1 MULTI-ARM POLYMER PRODRUGS NEKTAR THERAPEUTICS 2018-01-25 US disclosed
US-9808533-B2 Multi-arm polymer prodrugs NEKTAR THERAPEUTICS (US) 2017-11-07 US disclosed
EP-1675622-B1 MULTI-ARM POLYMER PRODRUGS NEKTAR THERAPEUTICS (US) 2017-06-14 EP disclosed
US-20170056514-A1 MULTI-ARM POLYMER PRODRUGS NEKTAR THERAPEUTICS 2017-03-02 US disclosed
US-9333200-B2 Multi-arm polymer prodrugs NEKTAR THERAPEUTICS (US) 2016-05-10 US disclosed
US-20140323514-A1 MULTI-ARM POLYMER PRODRUGS NEKTAR THERAPEUTICS 2014-10-30 US disclosed
US-8771662-B2 Multi-arm polymer prodrugs NEKTAR THERAPEUTICS (US) 2014-07-08 US disclosed
EP-2626083-A1 Multi-arm polymer prodrugs Nektar Therapeutics (US) 2013-08-14 EP disclosed
WO-2005028539-A2 MULTI-ARM POLYMER PRODRUGS NEKTAR THERAPEUTICS AL, CORPORATION (US) 2005-03-31 WO disclosed
CN-1433307-A Prostaglandin compounds for treating congestive heart failure UNITED THERAPEUTICS CORP (US) 2003-07-30 CN disclosed
WO-2003049676-A2 MODIFIED PROSTAGLANDIN COMPOUNDS AND ANALOGS THEREOF, COMPOSITIONS CONTAINING THE SAME USEFUL FOR THE TEATMENT OF CANCER UNITED THERAPEUTICS CORPORATION (US) 2003-06-19 WO disclosed
US-20030108512-A1 Modified prostaglandin compounds and analogs thereof, compositions containing the same useful for the treatment of cancer UNITED THERAPEUTICS CORPORATION 2003-06-12 US disclosed
EP-1299096-A1 PROSTAGLANDIN COMPOUNDS FOR TREATING CONGESTIVE HEART FAILURE United Therapeutics Corporation (US) 2003-04-09 EP disclosed
CN-1354622-A Prostaglandin compound, compositions and methods of treating peripheral vascular disease and pulmonary hypertension UNITED THERAPEUTICS CORP (US) 2002-06-19 CN disclosed
EP-1164846-A1 PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING PERIPHERAL VASCULAR DISEASE AND PULMONARY HYPERTENSION United Therapeutics Corporation (US) 2002-01-02 EP disclosed
WO-2001093862-A1 PROSTAGLANDIN COMPOUNDS FOR TREATING CONGESTIVE HEART FAILURE UNITED THERAPEUTICS CORPORATION (US) 2001-12-13 WO disclosed
US-6242482-B1 BONDED TO POLYMER UNITED THERAPEUTICS CORPORATION 2001-06-05 US disclosed
WO-2000057701-A1 PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING PERIPHERAL VASCULAR DISEASE AND PULMONARY HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2000-10-05 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 (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-20140323514-A1 MULTI-ARM POLYMER PRODRUGS PAICS, CD38, ENTPD1 HSPA5 2335/4885KEAP1 2594/4885IDO1 739/4885
US-10463659-B2 Multi-arm polymer prodrugs PAICS, CD38, ENTPD1 HSPA5 2335/4885KEAP1 2594/4885IDO1 739/4885
US-20180021444-A1 MULTI-ARM POLYMER PRODRUGS PAICS, CD38, ENTPD1 HSPA5 2335/4885KEAP1 2594/4885IDO1 739/4885
US-20170056514-A1 MULTI-ARM POLYMER PRODRUGS PAICS, CD38, ENTPD1 HSPA5 2335/4885KEAP1 2594/4885IDO1 739/4885
US-20030108512-A1 Modified prostaglandin compounds and analogs thereof, compositions containing the same useful for the treatment of cancer PTGES, PTGER1, PTGIR HSPA5 2404/4885KEAP1 866/4885IDO1 1517/4885
US-20220079936-A1 MULTI-ARM POLYMER PRODRUGS PAICS, CD38, ENTPD1 HSPA5 2335/4885KEAP1 2594/4885IDO1 739/4885

“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.