SCHEMBL12450167

SCHEMBL12450167

C=C[C@@]1(C)CC=C2C(CCC3[C@](C)(C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)OC)CCC[C@@]23C)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 11/20 0.58
▸ NR1H3 Q13133 2/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ HTR1D P28221 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR1E P28566 1/20 0.36
▸ HTR2B P41595 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
SCHEMBL267201 1.00 PTGS1 (0.58) PTGS1NR1H3PTPN1HTR1DHTR2A
SCHEMBL267562 0.93 PTGS1 (0.59) PTGS1NR1H3PTPN1
SCHEMBL12704601 0.90 PTGS1 (0.48) PTGS1NR1H3PTPN1HTR1DHTR2A
SCHEMBL14286822 0.90 PTGS1 (0.61) PTGS1NR1H3PTPN1
SCHEMBL14610164 0.89 PTGS1 (0.43) PTGS1NR1H3PTPN1HTR1DHTR2A
SCHEMBL280082 0.79 PTGS1 (0.47) PTGS1NR1H3PTPN1
SCHEMBL823258 0.79 PTGS1 (0.44) PTGS1NR1H3PTPN1
SCHEMBL267688 0.78 PTGS1 (0.70) PTGS1NR1H3PTPN1
SCHEMBL823243 0.78 PTGS1 (0.45) PTGS1NR1H3PTPN1
SCHEMBL261637 0.78 PTGS1 (0.69) PTGS1NR1H3PTPN1

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 1 patent. 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

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 3538/4885PTPN1 2008/4885

“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.

Send feedback