Sugi Predict

Sugi Predict / Compounds / SCHEMBL2811174

SCHEMBL2811174

SCHEMBL2811174

CC(C)(C)OC(=O)CN1CCN(CC(=O)OCc2ccccc2)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PLA2G10 O15496 1/20 0.46
▸ PLA2G5 P39877 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 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
SCHEMBL25422192 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL28519312 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL15982318 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL12004770 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL16749989 0.95 HTT (0.46) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL18840380 0.95 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
Bromide SCHEMBL4656223 0.94 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL14190560 0.93 EGFR (0.46) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL18286738 0.93 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL25403202 0.93 MEN1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050988-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SANOFI (FR) 2017-02-23 — — US disclosed
US-20170050988-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SANOFI (FR) 2017-02-23 — — US disclosed
US-20170050988-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SANOFI (FR) 2017-02-23 — — US disclosed
EP-3074388-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE Sanofi (FR) 2016-10-05 — — EP disclosed
WO-2015075699-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SANOFI (FR) 2015-05-28 — — WO disclosed
WO-2015075699-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SANOFI (FR) 2015-05-28 — — WO disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 — — US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 — — US disclosed
EP-2740491-A1 Conjugates of the B-subunit of shiga toxin for use as contrasting agents for imaging and therapy Institut Curie (FR) 2014-06-11 — — EP disclosed
US-20140039153-A1 CANCER IMAGING AND TREATMENT TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2014-02-06 — — US disclosed
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS CITIZENS BANK, N.A. 2002-02-07 — — US disclosed
US-20020001566-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-03 — — US disclosed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 — — US disclosed
US-6248306-B1 MEDICAL DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-19 — — US disclosed
US-6057419-A DRUGS AND IMAGES SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 — — US disclosed
US-5874061-A PARAMAGNETIC CONTRAST AGENTS FOR BOTH NUCLEAR SPIN AND COMPUTOR TOMOGRAPHY AND MAGNETIC RESONANCE IMAGING; MARKING VASCULAR SPACE (BLOOD-POOL AGENTS); BIOCOMPATIBILITY; HIGH SIGNAL INTENSITY, THEREFORE A LOWER DOSAGE USED SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-23 — — US disclosed
EP-0868202-A1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-07 — — EP disclosed
WO-1997023245-A1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-03 — — WO disclosed
EP-0768898-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 — — EP disclosed
WO-1996001655-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-25 — — 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 (4 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-20140039153-A1 CANCER IMAGING AND TREATMENT PNISR, S1PR3, S1PR1 ALDH1A1 4806/4885SMN1; SMN2 2734/4885MAPK1 1457/4885
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 ALDH1A1 4044/4885SMN1; SMN2 4809/4885MAPK1 2934/4885
US-20020001566-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS VEGFA, FLT4, FLT1 ALDH1A1 2359/4885SMN1; SMN2 4339/4885MAPK1 4104/4885
US-20170050988-A1 DOTAM DERIVATIVES FOR THERAPEUTIC USE SSTR2, SSTR5, SSTR3 ALDH1A1 2074/4885SMN1; SMN2 1061/4885MAPK1 882/4885

“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.