SCHEMBL4279441

SCHEMBL4279441

Cc1ccc(S(=O)(=O)O)cc1.O=C(CNC1CCCC1)OCc1ccccc1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
FKBP1A P62942 1/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4634622 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EEPHX1KMT2ASMN1; SMN2
SCHEMBL1414262 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EEPHX1KMT2ASMN1; SMN2
SCHEMBL22416691 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EEPHX1KMT2ASMN1; SMN2
SCHEMBL1455487 0.83 LMNA (0.60) LMNACA1CA2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1414261 0.82 ALDH1A1 (0.59) LMNAALDH1A1KDM4EEPHX1KMT2A
SCHEMBL2536 0.81 LMNA (0.57) LMNACA1CA2ALDH1A1MAPT
SCHEMBL14856423 0.81 ADORA3 (0.47) LMNAALDH1A1MAPTPKMKDM4E
SCHEMBL6901107 0.80 CA1 (0.53) LMNACA1CA2ALDH1A1MAPT
SCHEMBL11538539 0.79 CYP1A2 (0.49) LMNACA1CA2ALDH1A1KDM4E
SCHEMBL8508557 0.79 ALDH1A1 (0.64) LMNACA1CA2ALDH1A1MAPT

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
EP-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
US-7608599-B2 Antiviral phosphoramidates ROCHE PALO ALTO LLC (US) 2009-10-27 US disclosed
US-20070042988-A1 Antiviral phosphoramidates ROCHE PALO ALTO LLC 2007-02-22 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 (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-20070042988-A1 Antiviral phosphoramidates RPP30, RNASE1, ADORA2B LMNA 3990/4885CA1 4798/4885CA2 4632/4885

“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.