SCHEMBL19213974

SCHEMBL19213974

Cc1ccc(S(=O)(=O)N2CCc3cc(CO)ccc3C(=O)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD4 P01730 14/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL10232038 0.87 CD4 (0.51) CD4PKM
SCHEMBL3394766 0.85 ESR2 (0.55) CD4PKM
SCHEMBL16793968 0.82 CD4 (0.47) CD4MAPTRECQLPKM
SCHEMBL1017072 0.81 RYR2 (0.58) CD4LMNASMN1; SMN2PKM
SCHEMBL31287301 0.79 MEN1 (0.55) CD4LMNAMAPTRECQLSMN1; SMN2
SCHEMBL16572402 0.79 MEN1 (0.55) CD4LMNAMAPTRECQLSMN1; SMN2
SCHEMBL19216401 0.79 TSHR (0.51) CD4LMNARECQLPKM
SCHEMBL3398104 0.79 CD4 (0.60) CD4MAPTSMN1; SMN2PKM
SCHEMBL4011991 0.74 MEN1 (0.64) LMNAPKM
SCHEMBL4044050 0.74 RYR2 (0.57) CD4LMNASMN1; SMN2PKM

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-20170224852-A1 BENZAZEPIN-1-OL-DERIVED PET LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY WESTFAELISCHE WILHELMS-UNIVERSITAET (DE) 2017-08-10 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-20170224852-A1 BENZAZEPIN-1-OL-DERIVED PET LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY OPRK1, GRIN1, OPRL1 CD4 1453/4885LMNA 3642/4885MAPT 702/4885

“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.