SCHEMBL280416

SCHEMBL280416

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.39
▸ NR1H3 Q13133 6/20 0.36
▸ NR1H2 P55055 5/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ KARS1 Q15046 1/20 0.32
▸ POLA1 P09884 4/20 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
SCHEMBL280145 0.90 PTGS1 (0.38) PTGS1NR1H3NR1H2PTPN1MEN1
SCHEMBL12522438 0.87 PTGS1 (0.39) PTGS1NR1H3NR1H2PTPN1MEN1
SCHEMBL280417 0.87 PTGS1 (0.37) PTGS1NR1H3NR1H2PTPN1
SCHEMBL12887742 0.86 PTGS1 (0.38) PTGS1NR1H3NR1H2PTPN1RXRA
SCHEMBL10225176 0.80 SOD1 (0.47) PTGS1NR1H3NR1H2PTPN1MEN1
SCHEMBL280188 0.80 SOD1 (0.47) PTGS1NR1H3NR1H2PTPN1MEN1
SCHEMBL280154 0.80 SOD1 (0.47) PTGS1NR1H3NR1H2PTPN1MEN1
SCHEMBL280147 0.79 NR1H3 (0.44) PTGS1NR1H3NR1H2PTPN1RXRA
SCHEMBL280440 0.78 PTGS1 (0.55) PTGS1NR1H3NR1H2PTPN1
SCHEMBL280497 0.78 PTGS1 (0.55) PTGS1NR1H3NR1H2PTPN1

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-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

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 PTGS1 20/4885NR1H3 3538/4885NR1H2 2512/4885

“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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