Sugi Predict

Sugi Predict / Compounds / SCHEMBL22018065

SCHEMBL22018065

SCHEMBL22018065

CNCCSCC(=O)N[C@@H](CCO)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ FOLH1 Q04609 1/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL5662464 0.72 CNR2 (0.43) HTTSLC6A9RPS6KB1ALDH1A1KDM4E
SCHEMBL4075272 0.72 CNR2 (0.43) HTTSLC6A9RPS6KB1ALDH1A1KDM4E
SCHEMBL4740056 0.70 CACNA1B (0.38) HTTRPS6KB1KMT2ASLC6A2SLC6A4
SCHEMBL31037004 0.66 SLC6A9 (0.47) HTTSLC6A9ALDH1A1KDM4ELMNA
SCHEMBL27791481 0.65 WDR91 (0.60) KDM4EPRKACACDK8GSK3AGSK3B
SCHEMBL12920945 0.64 KMT2A (0.53) HTTALDH1A1KMT2AL3MBTL1
SCHEMBL8070518 0.64 KMT2A (0.44) HTTSLC6A9ALDH1A1LMNAKMT2A
SCHEMBL14701529 0.64 SLC6A9 (0.58) HTTSLC6A9ALDH1A1KDM4ELMNA
SCHEMBL12920995 0.63 KMT2A (0.49) HTTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL16901651 0.63 ROCK1 (0.51) HTTSLC6A9ALDH1A1KDM4ELMNA

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
US-20230321052-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF XOMA (US) LLC 2023-10-12 — — US disclosed
US-11524003-B2 Alpha-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof ObsEva S.A. (CH) 2022-12-13 — — US disclosed
US-20200155515-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF XOMA (US) LLC 2020-05-21 — — 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 (3 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-20200155515-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF PGF, PTGER1, PTGER4 HTT 2422/4885SLC6A9 937/4885FOLH1 1669/4885
US-20230321052-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF PGF, PTGER1, PTGER4 HTT 2422/4885SLC6A9 937/4885FOLH1 1669/4885
US-11524003-B2 Alpha-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof PGF, PTGER1, PTGER4 HTT 2422/4885SLC6A9 937/4885FOLH1 1669/4885

“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.