SCHEMBL19958495

SCHEMBL19958495

CC(C)CCCS(=O)(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 4/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.34

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
SCHEMBL21207380 0.89 LMNA (0.47) LMNAALDH1A1CA12CA7CA14
SCHEMBL17574701 0.83 POLB (0.37) ALDH1A1SMN1; SMN2KMT2ANPSR1MAPT
SCHEMBL17574697 0.81 TSHR (0.37) ALDH1A1KMT2ANPSR1MAPTKDM4E
SCHEMBL7297373 0.79 ALDH1A1 (0.50) LMNAALDH1A1CA12CA7CA14
SCHEMBL12448159 0.78 ALDH1A1 (0.46) LMNAALDH1A1CA12CA7CA14
SCHEMBL15693585 0.78 CA12 (0.59) LMNAALDH1A1CA12CA7CA14
SCHEMBL21210697 0.78 LMNA (0.49) LMNAALDH1A1CA12CA7CA14
SCHEMBL12449182 0.77 CA12 (0.48) LMNAALDH1A1CA12CA7CA14
SCHEMBL7856439 0.76 ALDH1A1 (0.48) LMNAALDH1A1CA12CA7CA14
SCHEMBL16372265 0.76 ALDH1A1 (0.48) LMNAALDH1A1CA12CA7CA14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMAN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 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 (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-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 LMNA 2671/4885ALDH1A1 1795/4885CA12 3082/4885
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection IDO1, ZC3HAV1, AZI2 LMNA 2791/4885ALDH1A1 1877/4885CA12 2734/4885

“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.