SCHEMBL613249

SCHEMBL613249

NCC#Cc1ccccc1CS(=O)(=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.39
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
THPO P40225 1/20 0.33
LOX P28300 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CYP2E1 P05181 2/20 0.31
CYP2C8 P10632 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2A6 P11509 2/20 0.31
CYP2B6 P20813 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GCGR P47871 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL611198 0.75 QRFPR (0.37) QRFPRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL612175 0.74 ALDH1A1 (0.39) QRFPRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL612862 0.73 QRFPR (0.39) QRFPRLOXL2LOXUSP2HPGD
SCHEMBL28104630 0.69 QRFPR (0.56) QRFPRCYP2D6USP2HPGDHSD17B10
SCHEMBL3244251 0.68 HPGD (0.54) QRFPRUSP2HPGDHSD17B10
SCHEMBL6447254 0.66 CYP2C19 (0.61) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL21234184 0.66 HPGD (0.51) QRFPRUSP2HPGDHSD17B10
SCHEMBL13630756 0.64 PRMT6 (0.41) QRFPRCYP3A4LOXL2LOXCYP2D6
SCHEMBL2151158 0.62 BRD4 (0.42) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL8254111 0.61 LOXL2 (0.46) LOXL2LOX

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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT QRFPR 3141/4885CYP2C19 3315/4885CYP1A2 3048/4885

“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.