SCHEMBL5847221

SCHEMBL5847221

O=C(O)[C@@H]1CCc2cc(S(=O)(=O)N3CCCC3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
TSHR P16473 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP3A4 P08684 1/20 0.47
CNR1 P21554 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL5847218 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TP53HTR2CHTR2BTSHR
SCHEMBL5847215 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TP53HTR2CHTR2BTSHR
SCHEMBL5848510 0.88 TSHR (0.50) SMN1; SMN2TP53HTR2CHTR2BTSHR
SCHEMBL5848512 0.88 TSHR (0.50) SMN1; SMN2TP53HTR2CHTR2BTSHR
SCHEMBL5848504 0.88 TSHR (0.50) SMN1; SMN2TP53HTR2CHTR2BTSHR
SCHEMBL5847564 0.86 LMNA (0.46) SMN1; SMN2TP53CTDSP1L3MBTL1ALDH1A1
SCHEMBL5847573 0.86 LMNA (0.46) SMN1; SMN2TP53CTDSP1L3MBTL1ALDH1A1
SCHEMBL5847567 0.86 LMNA (0.46) SMN1; SMN2TP53CTDSP1L3MBTL1ALDH1A1
SCHEMBL5847391 0.81 CYP2D6 (0.50)
SCHEMBL5847385 0.81 CYP2D6 (0.50)

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-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 SMN1; SMN2 1736/4885TP53 3303/4885HTR2C 289/4885

“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.