SCHEMBL22996235

SCHEMBL22996235

CCOC(=O)C(C)CC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MME P08473 10/20 0.40
▸ ACE P12821 6/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ SLC1A2 P43004 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
SCHEMBL598698 1.00 ALDH1A1 (0.43) ALDH1A1PKMMMEACEP2RX7
SCHEMBL1908585 1.00 ALDH1A1 (0.43) ALDH1A1PKMMMEACEP2RX7
SCHEMBL28390958 0.89 ALDH1A1 (0.43) ALDH1A1PKMMMEACEP2RX7
SCHEMBL30300760 0.87 MME (0.41) MMEACE
SCHEMBL28389111 0.87 MME (0.53) ALDH1A1PKMMMEACE
SCHEMBL28412302 0.87 MME (0.53) ALDH1A1PKMMMEACE
SCHEMBL20072199 0.82 ALDH1A1 (0.43) ALDH1A1PKMMMEP2RX7
SCHEMBL18970022 0.79 REN (0.48) MMEACE
SCHEMBL8283042 0.78 HSD11B1 (0.49) ALDH1A1PKM
SCHEMBL597164 0.77 GPR88 (0.49) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318116-B2 Stable amorphous form of sacubitril valsartan trisodium complex and processes for preparation thereof LAURUS LABS LIMITED (IN) 2022-05-03 — — US disclosed
US-20210046050-A1 STABLE AMORPHOUS FORM OF SACUBITRIL VALSARTAN TRISODIUM COMPLEX AND PROCESSES FOR PREPARATION THEREOF LAURUS LABS LTD (IN) 2021-02-18 — — US 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-11318116-B2 Stable amorphous form of sacubitril valsartan trisodium complex and processes for preparation thereof AGT, ACE, REN ALDH1A1 3149/4885PKM 714/4885MME 26/4885
US-20210046050-A1 STABLE AMORPHOUS FORM OF SACUBITRIL VALSARTAN TRISODIUM COMPLEX AND PROCESSES FOR PREPARATION THEREOF AGT, ACE, REN ALDH1A1 3149/4885PKM 714/4885MME 26/4885

“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.

Send feedback