SCHEMBL19804012

SCHEMBL19804012

CC(C)OCCS(=O)(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.42
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
SMYD3 Q9H7B4 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17039437 0.78 MAPT (0.42) ALDH1A1MAPTTSHRHPGD
SCHEMBL17039355 0.76 TSHR (0.43) ALDH1A1MAPTTSHRHPGDPOLB
SCHEMBL12449176 0.75 ALDH1A1 (0.46) ALDH1A1MAPTTSHRPOLBNPSR1
SCHEMBL17039349 0.74 ALDH1A1 (0.44) ALDH1A1MAPTTSHRHPGDNPSR1
SCHEMBL12448159 0.74 ALDH1A1 (0.46) ALDH1A1MAPTTSHRHPGDL3MBTL1
SCHEMBL105392 0.74 POLB (0.39) ALDH1A1MAPTTSHRHPGDPOLB
SCHEMBL17036734 0.73 ALDH1A1 (0.34) ALDH1A1TSHRHPGDPOLBL3MBTL1
SCHEMBL17036719 0.72 TSHR (0.36) ALDH1A1MAPTTSHRHPGDPOLB
SCHEMBL17574701 0.71 POLB (0.37) ALDH1A1MAPTTSHRHPGDPOLB
SCHEMBL178417 0.70 L3MBTL1 (0.49) ALDH1A1MAPTTSHRL3MBTL1SMN1; SMN2

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-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 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-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 ALDH1A1 2728/4885MAPT 3823/4885TSHR 1591/4885

“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.