SCHEMBL24915083

SCHEMBL24915083

COC(=O)[C@H]1CC2(CC2)CC(COC(=O)[C@H]2CC3(CCN2C(=O)OC(C)(C)C)CC3)N1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
IMPDH2 P12268 3/20 0.32
PTPN1 P18031 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL14488570 0.85 NR1H2 (0.42) PEPDNR1H2NR1H3IMPDH2PTPN1
SCHEMBL18084469 0.85 NR1H2 (0.42) PEPDNR1H2NR1H3IMPDH2PTPN1
SCHEMBL13859052 0.74 PEPD (0.49) PEPDNR1H2NR1H3IMPDH2PTPN1
SCHEMBL27274306 0.74 PEPD (0.49) PEPDNR1H2NR1H3IMPDH2PTPN1
SCHEMBL12773345 0.74 PEPD (0.49) PEPDNR1H2NR1H3IMPDH2PTPN1
SCHEMBL8255174 0.73 NR1H2 (0.42) NR1H2NR1H3IMPDH2PTPN1SMN1; SMN2
SCHEMBL14488388 0.73 HSD17B10 (0.46) NR1H2NR1H3SMN1; SMN2HSD17B10KDM1A
SCHEMBL16824583 0.73 HSD17B10 (0.46) NR1H2NR1H3SMN1; SMN2HSD17B10KDM1A
SCHEMBL934024 0.73 HSD17B10 (0.46) NR1H2NR1H3SMN1; SMN2HSD17B10KDM1A
SCHEMBL19389900 0.73 HSD17B10 (0.40) SMN1; SMN2HSD17B10GPR119KDM1ANPC1

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-20230028519-A1 (R)-4-(1-(6-(4-(TRIFLUOROMETHYL)BENZYL)-6-AZASPIRO[2.5] OCTANE-5-CARBOXAMIDO)-CYCLOPROPYL) BENZOIC ACID OR ITS SALT ALSO IN POLYMORPHIC FORM A FOR USE IN THE PREVENTION OF HETEROTOPIC OSSIFICATION ROTTAPHARM BIOTECH S.R.L. (IT) 2023-01-26 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-20230028519-A1 (R)-4-(1-(6-(4-(TRIFLUOROMETHYL)BENZYL)-6-AZASPIRO[2.5] OCTANE-5-CARBOXAMIDO)-CYCLOPROPYL) BENZOIC ACID OR ITS SALT ALSO IN POLYMORPHIC FORM A FOR USE IN THE PREVENTION OF HETEROTOPIC OSSIFICATION SOST, BMP6, BMP1 PEPD 2272/4885NR1H2 1150/4885NR1H3 1040/4885

“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.