SCHEMBL30335207

SCHEMBL30335207

CCCCCCCCCCCCOC(=O)[C@H](Cc1ccccc1)NP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CETP P11597 3/20 0.40

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
SCHEMBL25526439 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526187 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526450 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526176 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526186 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526383 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526173 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526195 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526058 1.00 HPRT1 (0.44) HPRT1ITGB1ITGA4CTSGCMA1
SCHEMBL25526042 0.99 HPRT1 (0.45) HPRT1ITGB1ITGA4CTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151049-A1 Compounds Useful in HIV Therapy VIIV HEALTHCARE COMPANY (US) 2023-05-18 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 (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-20230151049-A1 Compounds Useful in HIV Therapy CCR5, CD4, NPC1 HPRT1 15/4885ITGB1 1713/4885ITGA4 2033/4885

“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.