SCHEMBL21973203

SCHEMBL21973203

CCCC(=O)C1=C(O)C[C@H](CC)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.41
▸ PTPN1 P18031 6/20 0.40
▸ CDC25B P30305 5/20 0.40
▸ ACP1 P24666 4/20 0.40
▸ RECQL P46063 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ HPSE Q9Y251 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FASN P49327 1/20 0.32
▸ HSD17B3 P37058 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 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
SCHEMBL18940255 1.00 MAOA (0.41) MAOAPTPN1CDC25BACP1RECQL
SCHEMBL21555847 0.89 PTPN1 (0.40) MAOAPTPN1CDC25BACP1RECQL
SCHEMBL18919596 0.84 PTPN1 (0.48) PTPN1CDC25BACP1RECQLTDP1
SCHEMBL18919577 0.84 PTPN1 (0.48) PTPN1CDC25BACP1RECQLTDP1
SCHEMBL18919570 0.84 PTPN1 (0.48) PTPN1CDC25BACP1RECQLTDP1
SCHEMBL18919576 0.84 PTPN1 (0.48) PTPN1CDC25BACP1RECQLTDP1
SCHEMBL18919583 0.84 PTPN1 (0.48) PTPN1CDC25BACP1RECQLTDP1
SCHEMBL18919599 0.83 PTPN1 (0.36) PTPN1CDC25BACP1RECQLTDP1
SCHEMBL18919579 0.79 PTPN1 (0.38) PTPN1CDC25BACP1RECQLTDP1
SCHEMBL18940256 0.79 MAOA (0.35) MAOAPTPN1CDC25BACP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933048-B2 Compounds and methods of treating bacterial infections ULTUPHARMA AB (SE) 2021-03-02 — — US disclosed
US-20200138777-A1 COMPOUNDS AND METHODS OF TREATING BACTERIAL INFECTIONS ULTUPHARMA AB (SE) 2020-05-07 — — 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 (2 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-10933048-B2 Compounds and methods of treating bacterial infections ELANE, TNF, NISCH MAOA 216/4885PTPN1 3158/4885CDC25B 2547/4885
US-20200138777-A1 COMPOUNDS AND METHODS OF TREATING BACTERIAL INFECTIONS ELANE, TNF, NISCH MAOA 216/4885PTPN1 3158/4885CDC25B 2547/4885

“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.

Send feedback