SCHEMBL22627003

SCHEMBL22627003

C[C@H](CCC(=O)NCCC(=O)NO)[C@H]1CC[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 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.80
▸ NR1H4 Q96RI1 6/20 0.78
▸ SLC10A2 Q12908 4/20 0.78
▸ ABCB11 O95342 4/20 0.78
▸ ENPP2 Q13822 4/20 0.78
▸ ABCC4 O15439 1/20 0.78
▸ PLA2G1B P04054 1/20 0.78
▸ 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
▸ NR3C1 P04150 1/20 0.74
▸ USP2 O75604 1/20 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
SCHEMBL24224202 0.95 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL22608681 0.95 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL22608679 0.95 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL24404329 0.95 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL23345515 0.95 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL24404365 0.95 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL24404405 0.94 GPBAR1 (0.82) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL24224224 0.93 GPBAR1 (0.81) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL24404335 0.93 GPBAR1 (0.81) GPBAR1NR1H4SLC10A2ABCB11ENPP2
SCHEMBL22626970 0.93 GPBAR1 (0.81) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-05 — — US disclosed
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-05 — — US disclosed
EP-3733684-B9 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2022-05-11 — — EP disclosed
EP-3733684-B1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2022-01-26 — — EP disclosed
US-20210137946-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES FUNDACIO INSTITUT D'INVESTIGACIO BIOMEDICA DE BELLVITGE (IDIBELL) (ES) 2021-05-13 — — US disclosed
EP-3733684-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES Universidad del País Vasco/Euskal Herriko Unibertsitatea (ES) 2020-11-04 — — EP 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 (2 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-20210137946-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES PKD1, PKD2, SLC10A1 GPBAR1 7/4885NR1H4 4/4885SLC10A2 5/4885
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases HDAC1, HDAC2, HDAC9 GPBAR1 34/4885NR1H4 14/4885SLC10A2 37/4885

“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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