SCHEMBL20143869

SCHEMBL20143869

COC(C)C(C(=O)O)C(C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL18672284 0.84
SCHEMBL20615102 0.83
SCHEMBL21921321 0.82 MMP8 (0.32)
SCHEMBL19084206 0.80 TP53 (0.36) SLC7A5
SCHEMBL4839860 0.79 ALDH1A1 (0.35) SLC7A5
SCHEMBL18913612 0.79 SLC1A3 (0.30) SLC1A3SLC1A2SLC1A1
SCHEMBL23396961 0.78 TP53 (0.35) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL13542998 0.71 TP53 (0.42) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL5514917 0.71 TP53 (0.42) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL1604917 0.71 ALDH1A1 (0.39) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363452-A1 LUBRICIOUS AND DURABLE COATINGS FOR MEDICAL APPLIANCES WELLS FARGO BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2021-11-25 US disclosed
US-20210236397-A1 Stannous Salt And Sodium Tripolyphosphate Oral Care Compositions And Methods COLGATE-PALMOLIVE COMPANY (US) 2021-08-05 US disclosed
US-11013672-B2 Stannous salt and sodium tripolyphosphate oral care compositions and methods COLGATE-PALMOLIVE COMPANY (US) 2021-05-25 US disclosed
US-10603267-B2 Durable styling compositions and the uses thereof ISP INVESTMENTS LLC (US) 2020-03-31 US disclosed
WO-2020007887-A1 DENTIFRICE COMPRISING A PVM-MA COPOLYMER AND A SOURCE OF FREE FLUORIDE IONS GLAXOSMITHKLINE CONSUMER HEALTHCARE (UK) IP LIMITED (GB) 2020-01-09 WO disclosed
WO-2020007888-A1 DENTIFRICE COMPRISING CARBOXYLIC ACID OR ALKALI METAL SALT THEREOF AND A SOURCE OF FREE FLUORIDE IONS GLAXOSMITHKLINE CONSUMER HEALTHCARE (UK) IP LIMITED (GB) 2020-01-09 WO disclosed
US-9968527-B2 Stannous salt and sodium tripolyphosphate oral care compositions and methods COLGATE-PALMOLIVE COMPANY (US) 2018-05-15 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-20210236397-A1 Stannous Salt And Sodium Tripolyphosphate Oral Care Compositions And Methods PPIP5K2, PHOSPHO1, UBLCP1 SLC1A3 3281/4885SLC1A2 3595/4885SLC1A1 3534/4885
US-10603267-B2 Durable styling compositions and the uses thereof DNER, ALAD, TRHDE SLC1A3 2833/4885SLC1A2 3306/4885SLC1A1 3900/4885
US-11013672-B2 Stannous salt and sodium tripolyphosphate oral care compositions and methods PPIP5K2, PHOSPHO1, UBLCP1 SLC1A3 3281/4885SLC1A2 3595/4885SLC1A1 3534/4885

“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.