SCHEMBL772898

SCHEMBL772898

C=S1(=O)CCN(CCCC(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRL1 P41146 1/20 0.30
USP2 O75604 1/20 0.30
PAOX Q6QHF9 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
SCHEMBL441490 0.85 GBA1 (0.38) GBA1TP53SMN1; SMN2OPRL1USP2
SCHEMBL13600648 0.79 MEN1 (0.36) GBA1TP53SMN1; SMN2USP2PAOX
SCHEMBL12362370 0.77 MEN1 (0.33)
SCHEMBL25565620 0.77 GBA1 (0.46) GBA1TP53SMN1; SMN2
SCHEMBL438183 0.76 PAOX (0.44) GBA1TP53SMN1; SMN2USP2PAOX
SCHEMBL20384645 0.74 GNAI3 (0.41) GBA1TP53SMN1; SMN2USP2
SCHEMBL25123284 0.73 GBA1 (0.43) GBA1TP53SMN1; SMN2
SCHEMBL441042 0.73 HRH3 (0.46) GBA1TP53SMN1; SMN2
SCHEMBL27057345 0.73 GBA1 (0.43) GBA1TP53SMN1; SMN2
SCHEMBL439509 0.73 HRH3 (0.52) GBA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP GBA1 279/4885TP53 11/4885SMN1; SMN2 2866/4885
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 GBA1 3512/4885TP53 1532/4885SMN1; SMN2 1500/4885

“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.