SCHEMBL4801893

SCHEMBL4801893

CC(C)(C)[Si](C)(C)O[C@H]1CN2C(=O)C(c3cc(Cl)cc(Cl)c3)=C(O)C2(Cc2ccc(C#N)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 13/20 0.33
TMEM97 Q5BJF2 1/20 0.31
MDM2 Q00987 3/20 0.31
TP53 P04637 2/20 0.31
CNR1 P21554 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL4797574 0.91 TRPV4 (0.31) TRPV4TMEM97MDM2TP53ITGB2
SCHEMBL4913351 0.89 ITGAL (0.33) ITGB2ICAM1ITGAL
SCHEMBL4638944 0.89 ITGAL (0.33) ITGB2ICAM1ITGAL
SCHEMBL4799603 0.86 TRPV4 (0.34) TRPV4
SCHEMBL4637372 0.82
SCHEMBL4638957 0.82
SCHEMBL4864731 0.81 ITGAL (0.40) ITGB2ICAM1ITGAL
SCHEMBL14209158 0.81 ITGAL (0.40) ITGB2ICAM1ITGAL
SCHEMBL4866024 0.81 ITGAL (0.40) ITGB2ICAM1ITGAL
SCHEMBL4912803 0.79 ITGAL (0.37) ITGB2ICAM1ITGAL

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-7375237-B2 Pyrrolizine compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-20 US disclosed
US-20060052434-A1 Pyrrolizine compounds useful as anti-inflammatory agents CEREP S.A. (FR) 2006-03-09 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-20060052434-A1 Pyrrolizine compounds useful as anti-inflammatory agents NFKBIA, TNF, NFKB1 TRPV4 1660/4885TMEM97 4876/4885MDM2 1052/4885

“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.