SCHEMBL17574690

SCHEMBL17574690

CC(C)CCCS(=O)(=O)N1CCCC(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.31
PARP1 P09874 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
SCHEMBL17574701 0.80 POLB (0.37) MAPTTSHRKMT2AELOVL6
SCHEMBL17574697 0.79 TSHR (0.37) MAPTTSHRKMT2AELOVL6
SCHEMBL19958521 0.75 GFER (0.41) TSHR
SCHEMBL7384490 0.71 OPRM1 (0.39) PIK3CDLMNA
SCHEMBL19958495 0.69 LMNA (0.45) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL5738621 0.69 ESR1 (0.39) TSHRLMNAMEN1KMT2A
SCHEMBL105392 0.69 POLB (0.39) MAPTTSHRKMT2A
SCHEMBL14131259 0.68 PIK3CD (0.34) PIK3CDLMNA
SCHEMBL14132273 0.63 MCOLN3 (0.55) TSHRLMNAMEN1KMT2A
SCHEMBL2624401 0.63 PIK3CD (0.52) PIK3CDLMNA

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-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
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 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-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 PIK3CD 4233/4885MAPT 4796/4885TSHR 1187/4885
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 PIK3CD 4233/4885MAPT 4796/4885TSHR 1187/4885

“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.