SCHEMBL21140845

SCHEMBL21140845

CC(C)(CN)CC(C)(C)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1070050 0.79
SCHEMBL13636130 0.79 CA5A (0.31)
SCHEMBL18081341 0.78
SCHEMBL28815551 0.77 CYP2D6 (0.33) CYP2D6KDM4E
SCHEMBL28026605 0.77 CYP2D6 (0.33) CYP2D6KDM4E
Ammonia Solution, Strong SCHEMBL21625541 0.77 CYP2D6 (0.33) CYP2D6KDM4E
Sulfuric Acid SCHEMBL28118371 0.77 BLM (0.33) CYP2D6KDM4E
SCHEMBL15255389 0.75 GRM4 (0.31)
SCHEMBL17348048 0.74 CYP2D6 (0.39) CYP2D6KDM4E
SCHEMBL496879 0.74 SHBG (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386947-B1 METHOD FOR PRODUCING N-RETINOYLAMINOALKANE SULFONIC ACID OASMIA PHARMACEUTICAL AB (SE) 2021-05-19 EP disclosed
US-10322996-B2 Method for producing N-retinoylcysteic acid alkyl ester ARDENIA INVESTMENTS, LTD (GB) 2019-06-18 US disclosed
WO-2017099662-A1 METHOD FOR PRODUCING N-RETINOYLCYSTEIC ACID ALKYL ESTER ARDENIA INVESTMENTS, LTD. (GB) 2017-06-15 WO 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-10322996-B2 Method for producing N-retinoylcysteic acid alkyl ester AHCY, LRAT, RARA CYP2D6 1326/4885KDM4E 4686/4885

“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.