SCHEMBL4240413

SCHEMBL4240413

NC1(CC(=O)O)Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
HDAC9 Q9UKV0 1/20 0.41
HSD11B1 P28845 4/20 0.39
MMP8 P22894 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AKR1B1 P15121 1/20 0.35
CD69 Q07108 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
Hydrochloric Acid SCHEMBL4236278 0.98 MME (0.41) MMEHDAC9HSD11B1MMP8PKM
SCHEMBL5326427 0.88 MME (0.38) MMEHDAC9MAOAMAOB
SCHEMBL23857123 0.80 AKR1B1 (0.42) HSD11B1KMT2AMAOAAKR1B1
Hydrochloric Acid SCHEMBL25200678 0.79 AKR1B1 (0.41) HSD11B1KMT2AMAOAAKR1B1
Hydrochloric Acid SCHEMBL23857210 0.79 AKR1B1 (0.41) HSD11B1KMT2AMAOAAKR1B1
SCHEMBL4239525 0.78 MME (0.44) MMEHDAC9HSD11B1MMP8PKM
SCHEMBL6818072 0.77 USP2 (0.48) MMEHDAC9HSD11B1MMP8PKM
SCHEMBL3315498 0.77 BRD4 (0.43) KMT2A
SCHEMBL261005 0.76 CYP2C19 (0.50) MMEHDAC9HSD11B1MMP8PKM
SCHEMBL25787157 0.76 TSHR (0.44) MMEHDAC9HSD11B1MMP8PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion NYCOMED GMBH (DE) 2009-04-09 US disclosed
EP-1899341-A1 SPIRO-IMIDAZNAPHTHYRIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS Nycomed GmbH (DE) 2008-03-19 EP disclosed
EP-1899338-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION Nycomed GmbH (DE) 2008-03-19 EP disclosed
WO-2006134111-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2006-12-21 WO disclosed
WO-2006134112-A1 SPIRO-IMIDAZNAPHTHYRIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS NYCOMED GMBH (DE) 2006-12-21 WO disclosed
US-4500713-A TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE AS ANTIHYPERTENSIVE AGENT USV PHARMACEUTICAL CORPORATION (US) 1985-02-19 US disclosed
EP-0104546-A2 Therapeutic dipeptides USV PHARMACEUTICAL CORPORATION (US) 1984-04-04 EP 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 (1 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-20090093473-A1 Spiro-benzimidazoles as inhibitors of gastric acid secretion GIPR, PGC, SLC10A2 MME 2311/4885HDAC9 462/4885HSD11B1 721/4885

“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.