SCHEMBL5848504

SCHEMBL5848504

O=C(O)C1Cc2cc(S(=O)(=O)N3CCCC3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.49
CNR1 P21554 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.46
IL1RN P18510 1/20 0.46
PNMT P11086 1/20 0.46

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
SCHEMBL5848510 1.00 TSHR (0.50) TSHRCYP3A4CNR1CTDSP1USP2
SCHEMBL5848512 1.00 TSHR (0.50) TSHRCYP3A4CNR1CTDSP1USP2
SCHEMBL10293360 0.89 TSHR (0.60) TSHRCYP3A4CTDSP1SMN1; SMN2TP53
SCHEMBL5847218 0.88 SMN1; SMN2 (0.51) TSHRCYP3A4CNR1CTDSP1USP2
SCHEMBL5847215 0.88 SMN1; SMN2 (0.51) TSHRCYP3A4CNR1CTDSP1USP2
SCHEMBL5847221 0.88 SMN1; SMN2 (0.51) TSHRCYP3A4CNR1CTDSP1USP2
SCHEMBL10293335 0.87 TP53 (0.51) CTDSP1TP53L3MBTL1PKMMAPT
SCHEMBL5848677 0.85 GLA (0.47) CTDSP1SMN1; SMN2TP53HSD17B10L3MBTL1
SCHEMBL5848676 0.85 GLA (0.47) CTDSP1SMN1; SMN2TP53HSD17B10L3MBTL1
SCHEMBL5848675 0.85 GLA (0.47) CTDSP1SMN1; SMN2TP53HSD17B10L3MBTL1

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 TSHR 3708/4885CYP3A4 31/4885CNR1 25/4885

“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.