SCHEMBL8239406

SCHEMBL8239406

COC(=O)C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.45
MYC P01106 1/20 0.44
WDR5 P61964 1/20 0.44
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
PTPN1 P18031 1/20 0.41
ESR2 Q92731 1/20 0.41
TRPV3 Q8NET8 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ADAM17 P78536 1/20 0.40
AR P10275 1/20 0.38
BDKRB1 P46663 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
BRS3 P32247 1/20 0.37

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
SCHEMBL10057911 1.00 MME (0.45) MMEMYCWDR5FFAR1AKR1B1
SCHEMBL8065614 0.82 MYC (0.45) MMEMYCWDR5FFAR1AKR1B1
SCHEMBL2432 0.82 MYC (0.45) MMEMYCWDR5FFAR1AKR1B1
SCHEMBL2174 0.82 MYC (0.45) MMEMYCWDR5FFAR1AKR1B1
SCHEMBL2132 0.81 MYC (0.47) MMEMYCWDR5FFAR1AKR1B1
SCHEMBL2870 0.81 MYC (0.47) MMEMYCWDR5FFAR1AKR1B1
Hydrochloric Acid SCHEMBL15663201 0.81 MYC (0.45) MMEMYCWDR5FFAR1AKR1B1
Hydrochloric Acid SCHEMBL3526296 0.81 MYC (0.45) MMEMYCWDR5FFAR1AKR1B1
SCHEMBL6509544 0.79 MME (0.48) MMEMYCWDR5FFAR1AKR1B1
SCHEMBL1696979 0.79 MME (0.48) MMEMYCWDR5FFAR1AKR1B1

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-8258312-B2 Process for preparing pure valsartan MYLAN LABORATORIES LTD (IN) 2012-09-04 US disclosed
US-7923567-B2 Process for preparing valsartan ALEMBIC LIMITED (IN) 2011-04-12 US disclosed
US-20100249430-A1 PROCESS FOR PREPARING VALSARTAN ALEMBIC LIMITED (IN) 2010-09-30 US disclosed
US-20100197932-A1 PROCESS FOR PREPARING PURE VALSARTAN MATRIX LABORATORIES LTD (IN) 2010-08-05 US disclosed
US-7741507-B2 Process for preparing Valsartan ALEMBIC LIMITED (IN) 2010-06-22 US disclosed
US-7659406-B2 Process for preparing valsartan DR. REDDY'S LABORATORIES LIMITED (IN) 2010-02-09 US disclosed
EP-1926705-B1 PROCESS FOR PREPARING VALSARTAN ALEMBIC LTD (IN) 2009-09-02 EP disclosed
WO-2008007391-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF VALSARTAN SATYANARAYANA REDDY MANNE (IN) 2008-01-17 WO disclosed
WO-2007057919-A2 AN IMPROVED PROCESS FOR PREPARATION OF (S)-N-(1-CARBOXY-2-METHYL-PROP-1-YL)-N-PENTANOYL-N-[2'-(1H-TETRAZOL-5-YL)BIPHENYL-4-YLMETHYL]-AMINE ALEMBIC LIMITED (IN) 2007-05-24 WO disclosed
WO-2007032019-A2 PROCESS FOR PREPARING VALSARTAN ALEMBIC LIMITED (IN) 2007-03-22 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-20100197932-A1 PROCESS FOR PREPARING PURE VALSARTAN AGT, ACE, REN MME 10/4885MYC 4701/4885WDR5 2718/4885
US-20100249430-A1 PROCESS FOR PREPARING VALSARTAN REN, AGTR1, AGT MME 61/4885MYC 4415/4885WDR5 2543/4885

“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.