SCHEMBL17574697

SCHEMBL17574697

CC(C)CCCS(=O)(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.32

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 0.98 POLB (0.37) TSHRHPGDCA1CA2POLB
SCHEMBL105392 0.86 POLB (0.39) TSHRHPGDCA1CA2POLB
SCHEMBL19958495 0.81 LMNA (0.45) TSHRPOLBL3MBTL1NPSR1KMT2A
SCHEMBL17574690 0.79 PIK3CD (0.33) TSHRKMT2AMAPTELOVL6
SCHEMBL1321117 0.78 TSHR (0.44) TSHRHPGDCA1CA2POLB
SCHEMBL2817480 0.76 L3MBTL1 (0.42) TSHRHPGDCA1CA2POLB
SCHEMBL6894873 0.76 L3MBTL1 (0.42) TSHRHPGDCA1CA2POLB
SCHEMBL12847618 0.75 EPHX2 (0.51) TSHRHPGDCA1CA2POLB
SCHEMBL13058141 0.75 EPHX2 (0.51) TSHRHPGDCA1CA2POLB
SCHEMBL13013076 0.75 L3MBTL1 (0.41) TSHRHPGDCA1CA2POLB

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 TSHR 1187/4885HPGD 3717/4885CA1 4553/4885
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 TSHR 1187/4885HPGD 3717/4885CA1 4553/4885

“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.