SCHEMBL24470372

SCHEMBL24470372

CCSCc1ccc(C(=O)OC)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 5/20 0.60
HSD17B10 Q99714 3/20 0.60
TSHR P16473 3/20 0.59
MAPK1 P28482 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 1/20 0.56
HSP90AA1 P07900 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 4/20 0.52
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL24462030 0.83 HTT (0.69) HTTMAPTLMNAALDH1A1HSD17B10
SCHEMBL25390510 0.81 POLB (0.70) MAPTALDH1A1HSD17B10MAPK1RAB9A
SCHEMBL26229112 0.81 MAPT (0.68) HTTMAPTLMNAALDH1A1HSD17B10
SCHEMBL1530038 0.81 HTT (0.76) HTTMAPTLMNAALDH1A1HSD17B10
SCHEMBL8550528 0.81 MAPT (0.71) HTTMAPTLMNAALDH1A1HSD17B10
SCHEMBL3060178 0.80 POLB (0.50) MAPTLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL26227577 0.79 HTT (0.63) HTTMAPTLMNAALDH1A1HSD17B10
SCHEMBL12018996 0.79 HTT (1.00) HTTMAPTLMNAALDH1A1HSD17B10
SCHEMBL11974036 0.78 HTT (0.71) HTTMAPTLMNAALDH1A1HSD17B10
SCHEMBL2031143 0.78 HTT (0.76) HTTMAPTLMNAALDH1A1HSD17B10

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
EP-4251621-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
US-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
CN-116390920-A Aromatic spirocyclic amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-04 CN disclosed
WO-2022112207-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
WO-2022112207-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO 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-20230286969-A1 AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1H4, SLC10A1 HTT 3950/4885MAPT 4338/4885LMNA 1540/4885

“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.