SCHEMBL18199508

SCHEMBL18199508

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.81
▸ SLC10A2 Q12908 3/20 0.81
▸ ABCC4 O15439 2/20 0.81
▸ TBXA2R P21731 1/20 0.75
▸ PDE3A Q14432 1/20 0.75
▸ NR1H4 Q96RI1 1/20 0.75
▸ MAPT P10636 2/20 0.74
▸ MEN1 O00255 1/20 0.74
▸ KMT2A Q03164 1/20 0.74
▸ USP2 O75604 1/20 0.74
▸ LMNA P02545 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ CA1 P00915 6/20 0.70
▸ CA2 P00918 6/20 0.70
▸ VDR P11473 2/20 0.65
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ EPHA2 P29317 1/20 0.64

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
SCHEMBL25658157 1.00 GPBAR1 (0.81) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL14485302 0.95 GPBAR1 (0.85) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19549288 0.93 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19549290 0.93 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL14485375 0.92 GPBAR1 (0.78) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL1977807 0.92 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL12250467 0.92 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19577615 0.92 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL14497558 0.92 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL25269524 0.91 GPBAR1 (0.77) GPBAR1SLC10A2ABCC4TBXA2RPDE3A

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 6 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-20230331766-A1 METHOD FOR MASS-PRODUCING SODIUM TAURODEOXYCHOLATE SHAPERON INC. (KR) 2023-10-19 — — 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 (6 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-20230331766-A1 METHOD FOR MASS-PRODUCING SODIUM TAURODEOXYCHOLATE HSD11B1, HSD11B2, DHCR7 GPBAR1 382/4885SLC10A2 43/4885ABCC4 4177/4885
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 GPBAR1 893/4885SLC10A2 100/4885ABCC4 1985/4885
US-10010589-B2 — TYMP, MTAP, TUBB6 GPBAR1 2193/4885SLC10A2 268/4885ABCC4 1520/4885
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 GPBAR1 893/4885SLC10A2 100/4885ABCC4 1985/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 GPBAR1 893/4885SLC10A2 100/4885ABCC4 1985/4885
US-20180207276-A1 MODIFIED THERAPEUTIC AGENTS AND COMPOSITIONS THEREOF HDGF, ELANE, CD47 GPBAR1 2816/4885SLC10A2 1205/4885ABCC4 3115/4885

“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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