SCHEMBL980208

SCHEMBL980208

CN1CCCC(CC(=O)OC(=O)C(F)(F)F)(NC(=O)c2ccc(CCc3ccccc3)o2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 11/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32

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
SCHEMBL977640 0.89 OPRM1 (0.38) SLC6A9TSHRALDH1A1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL980207 0.88 SLC6A9 (0.37) SLC6A9TSHRALDH1A1PRSS1PRSS2
SCHEMBL977848 0.86 KMT2A (0.37) TSHRALDH1A1
SCHEMBL12923328 0.86 PRSS1 (0.38) SLC6A9TSHRPRSS1PRSS2PRSS3
SCHEMBL982241 0.75 OPRM1 (0.42) PKMSCN1ASCN2ASCN3A
SCHEMBL977961 0.74 EPHX1 (0.41) —
SCHEMBL977801 0.73 SPHK1 (0.46) —
Iodide SCHEMBL15590042 0.70 CTDSP1 (0.34) TSHRALDH1A1PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL979474 0.69 ALDH1A1 (0.33) ALDH1A1PRSS1PRSS2PRSS3TAAR1
Trifluoroacetic Acid SCHEMBL978104 0.68 ALDH1A1 (0.35) ALDH1A1PRSS1PRSS2PRSS3TAAR1

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-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 SLC6A9 709/4885TSHR 4271/4885ALDH1A1 196/4885

“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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