SCHEMBL5406924

SCHEMBL5406924

Cc1ccc(S(=O)(=O)N2CC=C(CO)C2c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 3/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.41
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5161798 1.00 MMP2 (0.54) MMP2NPSR1GAATSHRMAPT
SCHEMBL5161792 1.00 MMP2 (0.54) MMP2NPSR1GAATSHRMAPT
SCHEMBL25491618 0.89 MMP2 (0.56) MMP2NPSR1GAATSHRMAPT
SCHEMBL14068809 0.83 NPSR1 (0.61) MMP2NPSR1GAATSHRMAPT
SCHEMBL23757987 0.81 CRHBP (0.58) MMP2NPSR1GAATSHRCRHBP
SCHEMBL23757669 0.81 CRHBP (0.58) MMP2NPSR1GAATSHRCRHBP
SCHEMBL23757665 0.81 CRHBP (0.58) MMP2NPSR1GAATSHRCRHBP
SCHEMBL14077565 0.80 NPSR1 (0.57) MMP2NPSR1GAATSHRMAPT
SCHEMBL25491398 0.79 NPSR1 (0.53) MMP2NPSR1GAATSHRMAPT
SCHEMBL5163665 0.78 TSHR (0.57) MMP2NPSR1GAATSHRLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 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 (2 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-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS CHERP, ATP2A1, ATP2A3 MMP2 4803/4885NPSR1 2176/4885GAA 2628/4885
US-20050272800-A1 NK1 antagonists TACR1, TACR2, TAC3 MMP2 3274/4885NPSR1 9/4885GAA 1756/4885

“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.