SCHEMBL15371663

SCHEMBL15371663

Cc1nnc(C(C)(F)F)s1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2631871 0.82 ALDH1A1 (0.52) ALDH1A1
Ammonia Solution, Strong SCHEMBL4717357 0.80 ALDH1A1 (0.50) ALDH1A1
SCHEMBL429481 0.79 CA1 (0.41) ALDH1A1
SCHEMBL26527325 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13822033 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17502506 0.77 CA1 (0.31) ALDH1A1
SCHEMBL12975339 0.75
SCHEMBL19236769 0.71 NPC1 (0.35) ALDH1A1
SCHEMBL20320605 0.71
SCHEMBL26998887 0.70 SMN1; SMN2 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809361-B2 2,3-dihydrofuro[2,3-c]pyridines, their use as modulators of the G-protein-coupled receptor GPR119 and pharmaceutical compositions thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 US disclosed
US-8759326-B2 Drug combinations containing PDE4 inhibitors and NSAIDs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 US disclosed
US-20130296354-A1 2,3-DIHYDROFURO[2,3-c]PYRIDINES, THEIR USE AS MODULATORS OF THE G-PROTEIN-COUPLED RECEPTOR GPR119 AND PHARMACEUTICAL COMPOSITIONS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-07 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-20140031343-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS PTGER4, PDE4A, PDE12 ALDH1A1 842/4885
US-20130296354-A1 2,3-DIHYDROFURO[2,3-c]PYRIDINES, THEIR USE AS MODULATORS OF THE G-PROTEIN-COUPLED RECEPTOR GPR119 AND PHARMACEUTICAL COMPOSITIONS THEREOF GPR119, GPR3, GPR4 ALDH1A1 1091/4885

“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.