SCHEMBL6516899

SCHEMBL6516899

CC(C)CN1CCC(C(=O)O)=Cc2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GFER P55789 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HIF1A Q16665 1/20 0.43
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
RBP4 P02753 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33

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
SCHEMBL6525034 0.93 LMNA (0.41) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6520807 0.93 LMNA (0.41) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6344211 0.89 LMNA (0.40) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6341099 0.87 CYP1A2 (0.41) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6350680 0.85 LMNA (0.40) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6342750 0.81 LMNA (0.37) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL5240544 0.80 MYC (0.39) LMNAPMP22NPSR1GFERMYC
SCHEMBL3177372 0.80 CYP2C9 (0.38) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL3177367 0.80 CYP2C9 (0.38) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6352550 0.80 HRH2 (0.39) LMNAPMP22NPSR1GFERHTR2A

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-20050107606-A1 Process for producing optically active sulfoxide derivative TATKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
EP-1484322-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2004-12-08 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-20050107606-A1 Process for producing optically active sulfoxide derivative CCR5, OPRM1, CXCR4 LMNA 4466/4885PMP22 3390/4885NPSR1 320/4885

“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.