SCHEMBL6310795

SCHEMBL6310795

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FKBP1A P62942 2/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL6310797 1.00 NPSR1 (0.49) NPSR1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL5770264 0.85 ALDH1A1 (0.53) NPSR1TSHRCYP2C19L3MBTL1POLB
SCHEMBL5770247 0.85 ALDH1A1 (0.53) NPSR1TSHRCYP2C19L3MBTL1POLB
SCHEMBL5770254 0.85 ALDH1A1 (0.53) NPSR1TSHRCYP2C19L3MBTL1POLB
SCHEMBL6310767 0.84 GLA (0.45) NPSR1L3MBTL1POLBGAAMEN1
SCHEMBL6319715 0.84 GLA (0.45) NPSR1L3MBTL1POLBGAAMEN1
SCHEMBL6319712 0.84 GLA (0.45) NPSR1L3MBTL1POLBGAAMEN1
SCHEMBL4217833 0.84 ALDH1A1 (0.47) NPSR1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL4217831 0.84 ALDH1A1 (0.47) NPSR1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL1036337 0.79 NPSR1 (0.43) NPSR1TSHRCYP3A4CYP2D6CYP2C9

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 NPSR1 9/4885TSHR 975/4885CYP3A4 2058/4885

“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.