SCHEMBL4878355

SCHEMBL4878355

COc1cccc(C2(C(=O)O)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 2/20 0.58
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.52
FAAH O00519 1/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ATM Q13315 1/20 0.50
CCR8 P51685 1/20 0.49

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
SCHEMBL4881599 0.91 L3MBTL1 (0.60) SIGMAR1L3MBTL1ALDH1A1CYP2D6TSHR
SCHEMBL2701083 0.91 SIGMAR1 (0.57) SIGMAR1L3MBTL1ALDH1A1CYP2D6TSHR
SCHEMBL8349894 0.89 SIGMAR1 (0.55) SIGMAR1L3MBTL1ALDH1A1CYP2D6TSHR
SCHEMBL8349895 0.88 L3MBTL1 (0.54) SIGMAR1L3MBTL1ALDH1A1CYP2D6TSHR
SCHEMBL4883886 0.85 L3MBTL1 (0.54) SIGMAR1L3MBTL1ALDH1A1CYP2D6TSHR
SCHEMBL4883883 0.85 MMP1 (0.52) SIGMAR1L3MBTL1ALDH1A1HTTFAAH
SCHEMBL4816046 0.84 ALDH1A1 (0.80) SIGMAR1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL2794291 0.83 OPRL1 (0.64) SIGMAR1ALDH1A1CYP2D6TSHRLMNA
Hydrochloric Acid SCHEMBL6288091 0.83 ALDH1A1 (0.78) SIGMAR1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4872645 0.82 OPRD1 (0.56) L3MBTL1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 SIGMAR1 298/4885L3MBTL1 3484/4885ALDH1A1 2899/4885

“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.