SCHEMBL9025920

SCHEMBL9025920

CC(=O)OCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.57
AKR1B1 P15121 1/20 0.57
ESR2 Q92731 1/20 0.55
ALDH1A1 P00352 1/20 0.54
PTPN1 P18031 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
MME P08473 1/20 0.46
PTPN5 P54829 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
MYC P01106 1/20 0.44
WDR5 P61964 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA4 P48058 1/20 0.44
GBA1 P04062 1/20 0.42
UGCG Q16739 1/20 0.42
GBA2 Q9HCG7 1/20 0.42
OXTR P30559 2/20 0.42
AVPR1A P37288 2/20 0.42
PPARG P37231 2/20 0.41

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
SCHEMBL4008849 0.86 FFAR1 (0.57) FFAR1AKR1B1ESR2ALDH1A1PTPN1
SCHEMBL9205882 0.83 ALDH1A1 (0.51) FFAR1AKR1B1ALDH1A1PTPN1
SCHEMBL4008847 0.82 FFAR1 (0.60) FFAR1AKR1B1ESR2ALDH1A1PTPN1
SCHEMBL27453802 0.81 FFAR1 (0.53) FFAR1AKR1B1ESR2ALDH1A1PTPN1
SCHEMBL6953214 0.80 ESR2 (0.59) FFAR1AKR1B1ESR2PTPN1EGLN1
SCHEMBL7791085 0.79 ESR2 (0.44) FFAR1AKR1B1ESR2ALDH1A1PTPN5
SCHEMBL6961953 0.79 FFAR1 (0.54) FFAR1AKR1B1ESR2PTPN1MME
SCHEMBL11845649 0.78 FFAR1 (0.50) FFAR1AKR1B1ESR2ALDH1A1PTPN1
SCHEMBL10363262 0.78 ALDH1A1 (0.59) FFAR1ALDH1A1MME
SCHEMBL23742273 0.78 ROCK2 (0.55) FFAR1AKR1B1ESR2ALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 US disclosed
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2012-12-27 US disclosed
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 US disclosed
US-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 US disclosed
US-20070093542-A1 Process for the preparation of valsartan and intermediates thereof TEVA PHARMACEUTICAL INDUSTRIES, LTD. 2007-04-26 US disclosed
US-7199144-B2 Process for the preparation of valsartan and intermediates thereof TEVA PHARMACEUTICALS INDUSTRIES, LTD. (IL) 2007-04-03 US disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
US-5587390-A Imidazole derivatives having a II antagonist activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-12-24 US disclosed
EP-0654030-B1 IMIDAZOLE DERIVATIVES HAVING ANGIOTENSIN II ANTAGONIST ACTIVITY LUSO FARMACO INST (IT) 1996-12-18 EP disclosed
WO-1994003449-A1 IMIDAZOLE DERIVATIVES HAVING A II ANTAGONIST ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-02-17 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-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides ABL1, TBCA, TBC1D5 FFAR1 3859/4885AKR1B1 1253/4885ESR2 4326/4885
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 FFAR1 3859/4885AKR1B1 1253/4885ESR2 4326/4885
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 FFAR1 3859/4885AKR1B1 1253/4885ESR2 4326/4885
US-20070093542-A1 Process for the preparation of valsartan and intermediates thereof REN, AGT, ACE FFAR1 2511/4885AKR1B1 131/4885ESR2 4094/4885

“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.