SCHEMBL19640729

SCHEMBL19640729

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](CSSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ FAAH O00519 1/20 0.36
▸ ACE P12821 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PPARG P37231 7/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ OXER1 Q8TDS5 1/20 0.33
▸ REN P00797 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ PPARA Q07869 6/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SLC6A5 Q9Y345 1/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ CTSK P43235 2/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL19640727 1.00 ALDH1A1 (0.44) ALDH1A1MAPTFAAHACECNR1
SCHEMBL19656727 0.89 ALDH1A1 (0.36) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL19656708 0.86 ALDH1A1 (0.34) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL19640731 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL19640734 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL17790862 0.83 CNR1 (0.45) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL17790888 0.83 CNR1 (0.45) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL19328452 0.83 CNR1 (0.45) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL19640383 0.79 ALDH1A1 (0.56) ALDH1A1MAPTFAAHCNR1CNR2
SCHEMBL19640444 0.79 ALDH1A1 (0.41) ALDH1A1MAPTFAAHCNR1CNR2

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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — US disclosed
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 ALDH1A1 1220/4885MAPT 867/4885FAAH 307/4885

“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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