SCHEMBL18946366

SCHEMBL18946366

CCOP(=O)(OCC)[C@H](C)N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.39
GAA P10253 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARD Q03181 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HMGCR P04035 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL14064086 1.00 TSHR (0.46) TSHRTDP1TP53POLBGAA
SCHEMBL3175484 1.00 TSHR (0.46) TSHRTDP1TP53POLBGAA
SCHEMBL282248 0.81 TSHR (0.48) TSHRTDP1TP53POLBGAA
SCHEMBL9157801 0.80 LAP3 (0.42) TSHRTDP1TP53POLBGAA
SCHEMBL1711012 0.78 TSHR (0.50) TSHRTDP1TP53POLBGAA
SCHEMBL10201143 0.78 TSHR (0.50) TSHRTDP1TP53POLBGAA
Hydrochloric Acid SCHEMBL9004814 0.77 TSHR (0.43) TSHRTDP1TP53PPARDALDH1A1
SCHEMBL492011 0.77 LAP3 (0.48) TSHRTDP1TP53POLBCYP3A4
SCHEMBL10385714 0.77 LAP3 (0.50) TSHRTDP1TP53POLBGAA
SCHEMBL1527604 0.76 TSHR (0.48) TSHRTDP1TP53POLBGAA

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-20170158720-A1 Antimicrobial Compounds BIOMERIEUX (FR) 2017-06-08 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 (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-20170158720-A1 Antimicrobial Compounds NGLY1, MRPL21, VIP TSHR 3023/4885TDP1 3866/4885TP53 2236/4885

“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.