SCHEMBL280154

SCHEMBL280154

COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CCC[C@](C)(I)C3CCC12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.47
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLA1 P09884 4/20 0.43
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 3/20 0.39
NR1H3 Q13133 3/20 0.38
NR1H2 P55055 2/20 0.38
PTPN1 P18031 1/20 0.38
ABHD16A O95870 1/20 0.36

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
SCHEMBL10225176 1.00 SOD1 (0.47) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL280188 1.00 SOD1 (0.47) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL14610128 0.84 POLA1 (0.46) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL280442 0.84 SOD1 (0.47) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL6009627 0.84 POLA1 (0.46) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL267773 0.84 POLA1 (0.46) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL267397 0.84 POLA1 (0.46) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL6008134 0.83 PTGS1 (0.46) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL12450207 0.83 PTGS1 (0.46) SOD1CYP3A4MAPTMEN1USP2
SCHEMBL267488 0.83 PTGS1 (0.46) SOD1CYP3A4MAPTMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
US-8133915-B2 Interleukin-1 and tumor necrosis factor-α modulators; syntheses of such modulators and methods of using such modulators NEREUS PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-7893299-B2 Acanthoic amide derivatives; inflammation, cancer, cachexia, cardiovascular disease, infections, diabetes, otitis media, sinusitis, transplant rejection NEREUS PHARMACEUTICALS, INC. (US) 2011-02-22 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-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF SOD1 4117/4885CYP3A4 2799/4885MAPT 4689/4885

“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.