SCHEMBL12413950

SCHEMBL12413950

CC(C)c1c(F)c(F)c(C(N)=O)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TAS1R3 Q7RTX0 7/20 0.33
▸ TAS1R1 Q7RTX1 7/20 0.33
▸ TAS1R2 Q8TE23 7/20 0.33

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
SCHEMBL811680 0.80 POLB (0.41) POLBPKMSMN1; SMN2
SCHEMBL12650279 0.79 LDHA (0.40) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL23781775 0.78 CA1 (0.41) PKMSMN1; SMN2
SCHEMBL161645 0.77 CES2 (0.42) POLBPKMSMN1; SMN2
SCHEMBL28298959 0.77 POLB (0.39) POLB
SCHEMBL8357047 0.76 SMN1; SMN2 (0.41) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL1703382 0.75 CES2 (0.40) POLBPKMSMN1; SMN2
SCHEMBL12544632 0.75 CES2 (0.40) POLBPKMSMN1; SMN2
Bromide SCHEMBL29086958 0.75 CES2 (0.40) POLBPKMSMN1; SMN2
SCHEMBL22358990 0.74 TSHR (0.49) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 — — US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 — — 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 (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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 POLB 2094/4885PKM 685/4885SMN1; SMN2 1994/4885

“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.

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