SCHEMBL6892824

SCHEMBL6892824

CCC(=O)OCC(C)c1ccc(-n2c(CC)nc3cc(C(F)(F)F)c(Cl)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
NOTUM Q6P988 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HPGD P15428 1/20 0.32
PDE2A O00408 1/20 0.32
P2RX7 Q99572 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PPARG P37231 1/20 0.31
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
PABPC1 P11940 1/20 0.30
P2RX3 P56373 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
SCHEMBL7102170 0.85 SMN1; SMN2 (0.36) SMN1; SMN2NR1H2NR1H3NOTUMESR1
SCHEMBL1626771 0.85 ESR1 (0.34) SMN1; SMN2NR1H2NR1H3NOTUMESR1
SCHEMBL1624868 0.84 FAAH (0.36) NR1H2NR1H3NOTUMESR1ESR2
SCHEMBL27582779 0.83 AKR1C3 (0.42) SMN1; SMN2NOTUMESR1ESR2PDE2A
SCHEMBL1625509 0.82 MEN1 (0.35) NR1H2NR1H3NOTUMESR1ESR2
SCHEMBL1626690 0.82 MEN1 (0.35) NR1H2NR1H3NOTUMESR1ESR2
SCHEMBL1625506 0.82 MEN1 (0.35) NR1H2NR1H3NOTUMESR1ESR2
SCHEMBL5799639 0.77 CNR2 (0.38) NR1H2NR1H3NOTUMESR1ESR2
SCHEMBL1626323 0.77 MEN1 (0.35) NR1H2NR1H3NOTUMESR1ESR2
SCHEMBL1624708 0.77 MEN1 (0.35) NR1H2NR1H3NOTUMESR1ESR2

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-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 SMN1; SMN2 3880/4885NR1H2 213/4885NR1H3 424/4885

“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.