SCHEMBL18199509

SCHEMBL18199509

CCCNC(=O)CC[C@@H](C)C1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.90
▸ NR1H4 Q96RI1 7/20 0.80
▸ SLC10A2 Q12908 4/20 0.80
▸ ABCB11 O95342 4/20 0.80
▸ ENPP2 Q13822 3/20 0.80
▸ ABCC4 O15439 1/20 0.80
▸ PLA2G1B P04054 1/20 0.80
▸ NR3C1 P04150 1/20 0.76
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ SLC10A1 Q14973 2/20 0.74
▸ LMNA P02545 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ CHRM2 P08172 1/20 0.74
▸ ADRA2A P08913 1/20 0.74
▸ ADRA1A P35348 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ CISD1 Q9NZ45 1/20 0.74
▸ CYP3A4 P08684 1/20 0.74
▸ CA1 P00915 2/20 0.69

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
SCHEMBL19278618 0.94 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL22358531 0.94 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL19278622 0.94 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL18645300 0.94 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL22358632 0.94 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL25943228 0.93 GPBAR1 (0.90) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL19360876 0.93 GPBAR1 (0.90) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL24026813 0.92 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL13851603 0.92 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL1656519 0.92 GPBAR1 (0.82) GPBAR1NR1H4SLC10A2ABCB11ENPP2

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
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-06-27 — — US disclosed
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-08-07 — — US disclosed
US-20180207276-A1 MODIFIED THERAPEUTIC AGENTS AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2018-07-26 — — US disclosed
US-10010589-B2 — — 2018-07-03 — — US disclosed
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 — — 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 (5 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 GPBAR1 893/4885NR1H4 401/4885SLC10A2 100/4885
US-10010589-B2 — TYMP, MTAP, TUBB6 GPBAR1 2193/4885NR1H4 1448/4885SLC10A2 268/4885
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 GPBAR1 893/4885NR1H4 401/4885SLC10A2 100/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 GPBAR1 893/4885NR1H4 401/4885SLC10A2 100/4885
US-20180207276-A1 MODIFIED THERAPEUTIC AGENTS AND COMPOSITIONS THEREOF HDGF, ELANE, CD47 GPBAR1 2816/4885NR1H4 1402/4885SLC10A2 1205/4885

“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.

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