SCHEMBL3267362

SCHEMBL3267362

CS(=O)(=O)OCCCOc1ccnc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SSTR4 P31391 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
NCF1 P14598 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL2333830 0.80 NCF1 (0.51) LOXL2NCF1KDM1AHTR1AADRA1D
SCHEMBL30298724 0.79 NCF1 (0.43) LOXL2NCF1HTTSMN1; SMN2MAPT
SCHEMBL16836384 0.79 TLR8 (0.49) ALDH1A1LMNALOXL2NCF1
SCHEMBL4631786 0.78 LMNA (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL30189508 0.78 HTR1B (0.57) KDM4EALDH1A1
SCHEMBL6747657 0.78 HTR1B (0.57) KDM4EALDH1A1
SCHEMBL7561580 0.77 TLR8 (0.50) LMNALOXL2NCF1HTTSMN1; SMN2
SCHEMBL19938062 0.77 TLR8 (0.47) LOXL2NCF1MEN1KMT2AKDM1A
SCHEMBL13755971 0.77 DAO (0.38) LMNAHTTSMN1; SMN2MEN1MAPT
SCHEMBL7590766 0.76 TLR8 (0.51) LMNANCF1HTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3546452-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MMV Medicines for Malaria Venture (CH) 2019-10-02 EP disclosed
EP-2194985-B1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE MMV (CH) 2019-02-20 EP disclosed
US-8530491-B2 Antimalarial compounds with flexible side-chains MEDICINES FOR MALARIA VENTURE (MMV) (CH) 2013-09-10 US disclosed
EP-2194985-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS Medicines for Malaria Venture (CH) 2010-06-16 EP disclosed
WO-2009048957-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE (CH) 2009-04-16 WO disclosed
US-20090099220-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS MEDICINES FOR MALARIA VENTURE 2009-04-16 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 (1 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-20090099220-A1 ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS DHFR, FPGS, DHODH KDM4E 1048/4885USP2 3716/4885ALDH1A1 755/4885

“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.