SCHEMBL20528290

SCHEMBL20528290

COC(=O)C(N)CCS(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.38
CASR P41180 1/20 0.38
CA14 Q9ULX7 2/20 0.38
ENPEP Q07075 4/20 0.37
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
LTA4H P09960 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
KIF11 P52732 1/20 0.34
APP P05067 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
Hydrochloric Acid SCHEMBL30720088 0.98 CASR (0.37) PMP22CASRCA14ENPEPLMNA
SCHEMBL6782700 0.83 PMP22 (0.42) PMP22CASRCA14CYP2C19LTA4H
SCHEMBL629203 0.83 PMP22 (0.42) PMP22CASRCA14CYP2C19LTA4H
SCHEMBL11776470 0.82 SMN1; SMN2 (0.42) CASRCA14LTA4HCA1CA2
SCHEMBL26627543 0.82 CASR (0.37) PMP22CASRCA14LTA4HCA12
SCHEMBL22268721 0.82 CASR (0.37) PMP22CASRCA14LTA4HCA12
SCHEMBL20528273 0.82 TP53 (0.38) PMP22ENPEPLMNASLC6A6CYP2C19
Hydrochloric Acid SCHEMBL8602951 0.82 PMP22 (0.41) PMP22CASRCA14CYP2C19LTA4H
Hydrochloric Acid SCHEMBL8763031 0.82 PMP22 (0.37) PMP22CASRCA14LTA4HCA12
SCHEMBL1786590 0.81 CA14 (0.39) PMP22CASRCA14CA12CA1

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 5 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
US-20190127322-A1 METHOD FOR PRODUCING N-RETINOYLCYSTEIC ACID ALKYL ESTER VIVESTO AB (SE) 2019-05-02 US disclosed
US-10138204-B2 Method for producing N-retinoylcysteic acid alkyl ester ARDENIA INVESTMENTS, LTD (GB) 2018-11-27 US disclosed
US-20180290973-A1 METHOD FOR PRODUCING N-RETINOYLCYSTEIC ACID ALKYL ESTER VIVESTO AB (SE) 2018-10-11 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 (4 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-20190127322-A1 METHOD FOR PRODUCING N-RETINOYLCYSTEIC ACID ALKYL ESTER AHCY, LRAT, RARA PMP22 3079/4885CASR 1952/4885CA14 1260/4885
US-20180290973-A1 METHOD FOR PRODUCING N-RETINOYLCYSTEIC ACID ALKYL ESTER AHCY, LRAT, RARA PMP22 3079/4885CASR 1952/4885CA14 1260/4885
US-10138204-B2 Method for producing N-retinoylcysteic acid alkyl ester AHCY, LRAT, RARA PMP22 3079/4885CASR 1952/4885CA14 1260/4885
US-10322996-B2 Method for producing N-retinoylcysteic acid alkyl ester AHCY, LRAT, RARA PMP22 3079/4885CASR 1952/4885CA14 1260/4885

“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.