SCHEMBL6311533

SCHEMBL6311533

Cc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2c2ccccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ADAM17 P78536 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP19A1 P11511 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
FKBP1A P62942 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4217831 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1ADAM17NPSR1
SCHEMBL4217833 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1ADAM17NPSR1
SCHEMBL2516744 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAOAMAOB
SCHEMBL6310797 0.76 NPSR1 (0.49) ALDH1A1KMT2AMEN1NPSR1GAA
SCHEMBL6310795 0.76 NPSR1 (0.49) ALDH1A1KMT2AMEN1NPSR1GAA
SCHEMBL1036337 0.75 NPSR1 (0.43) ALDH1A1KMT2AMEN1NPSR1GAA
SCHEMBL1036338 0.75 NPSR1 (0.43) ALDH1A1KMT2AMEN1NPSR1GAA
SCHEMBL5770264 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPSR1GAA
SCHEMBL5770254 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPSR1GAA
SCHEMBL5770247 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPSR1GAA

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 ALDH1A1 2855/4885KMT2A 944/4885MEN1 861/4885

“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.