SCHEMBL21923105

SCHEMBL21923105

C[C@H](CCC(=O)NCCCCN)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.79
▸ SLC10A2 Q12908 3/20 0.79
▸ ABCC4 O15439 2/20 0.79
▸ TBXA2R P21731 1/20 0.70
▸ PDE3A Q14432 1/20 0.70
▸ NR1H4 Q96RI1 1/20 0.70
▸ MAPT P10636 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ USP2 O75604 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ CA1 P00915 9/20 0.69
▸ CA2 P00918 9/20 0.69
▸ VDR P11473 1/20 0.63
▸ SLC10A1 Q14973 1/20 0.61
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HIF1A Q16665 1/20 0.60

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
SCHEMBL19549224 1.00 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL21925650 1.00 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19549230 1.00 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL1977807 0.94 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19577615 0.94 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL29406668 0.93 GPBAR1 (0.68) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL14485302 0.92 GPBAR1 (0.85) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19549288 0.92 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19549290 0.92 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL24098350 0.90 GPBAR1 (0.91) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131223-A1 COMPOUND FOR TREATING CLOSTRIDIUM DIFFICILE INSIGHT HEALTH LIMITED 2020-04-30 — — 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-20200131223-A1 COMPOUND FOR TREATING CLOSTRIDIUM DIFFICILE DSTN, DAD1, DDOST GPBAR1 77/4885SLC10A2 13/4885ABCC4 464/4885

“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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