SCHEMBL17844214

SCHEMBL17844214

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2cccnc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
GBA1 P04062 3/20 0.42
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TBXAS1 P24557 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTAFR P25105 1/20 0.35

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
SCHEMBL17844149 0.97 CHRNB2 (0.44) CHRNB2CHRNA4GBA1KDM4ERECQL
SCHEMBL5184340 0.89 GBA1 (0.35) GBA1KDM4EALDH1A1USP2CYP3A4
SCHEMBL5186747 0.87 PTPN2 (0.37) RECQL
SCHEMBL17844247 0.86 HTR1B (0.39) KDM4ERECQLALDH1A1
SCHEMBL17844232 0.84 DRD2 (0.44) CHRNB2CHRNA4KDM4E
SCHEMBL17844246 0.83 HCRTR1 (0.39) KDM4EALDH1A1
SCHEMBL17844176 0.83 ADORA3 (0.35) CYP3A4CYP2D6
SCHEMBL17844178 0.83 DRD4 (0.43) KDM4EALDH1A1
SCHEMBL17844169 0.82 SCN9A (0.36) KDM4E
SCHEMBL17844230 0.82 DRD2 (0.46) KDM4E

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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 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 (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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 CHRNB2 2483/4885CHRNA4 3423/4885GBA1 807/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 CHRNB2 2483/4885CHRNA4 3423/4885GBA1 807/4885

“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.