SCHEMBL18954292

SCHEMBL18954292

C[N+]1(CCO)CCOCC1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.38
TERT O14746 7/20 0.38
ALDH1A1 P00352 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NPC1 O15118 1/20 0.36
AIMP2 Q13155 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9442688 0.86 CYP2C9 (0.47) CYP2C9TERTALDH1A1CTDSP1LMNA
SCHEMBL4757145 0.84 CYP2C9 (0.54) CYP2C9L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL11556453 0.78 CYP2C9 (0.52) CYP2C9L3MBTL1MEN1KMT2A
SCHEMBL8444430 0.77 CYP2C9 (0.51) CYP2C9L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL4755281 0.77 CYP2C9 (0.46) CYP2C9L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL18954332 0.76 CYP2C9 (0.47) CYP2C9L3MBTL1TERTALDH1A1CTDSP1
SCHEMBL28949348 0.76 CYP2C9 (0.47) CYP2C9L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL29903842 0.75 CYP2C9 (0.45) CYP2C9ALDH1A1LMNACYP3A4PKM
SCHEMBL868812 0.74 HPGD (0.42) L3MBTL1TERTCTDSP1APOBEC3AAPOBEC3G
SCHEMBL9442692 0.74 ALDH1A1 (0.40) CYP2C9L3MBTL1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220265857-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2022-08-25 US disclosed
EP-3386484-B1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS MODERNATX INC (US) 2022-03-30 EP disclosed
US-11285222-B2 Compositions and methods for delivery of agents MODERNATX, INC. (US) 2022-03-29 US disclosed
US-20200206362-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS Moderna TX, Inc. (US) 2020-07-02 US disclosed
US-10556018-B2 Compositions and methods for delivery of agents ARES CAPITAL CORPORATION, AS AGENT 2020-02-11 US disclosed
US-20190117798-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2019-04-25 US disclosed
US-10207010-B2 Compositions and methods for delivery of agents MODERNATX, INC. (US) 2019-02-19 US disclosed
EP-3386484-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS ModernaTX, Inc. (US) 2018-10-17 EP disclosed
US-20180147298-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2018-05-31 US disclosed
US-20180028664-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2018-02-01 US disclosed
WO-2017099823-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2017-06-15 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 (8 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-20190117798-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 CYP2C9 4726/4885L3MBTL1 274/4885TERT 2401/4885
US-10556018-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 CYP2C9 4726/4885L3MBTL1 274/4885TERT 2401/4885
US-20200206362-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 CYP2C9 4726/4885L3MBTL1 274/4885TERT 2401/4885
US-10207010-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 CYP2C9 4726/4885L3MBTL1 274/4885TERT 2401/4885
US-11285222-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 CYP2C9 4726/4885L3MBTL1 274/4885TERT 2401/4885
US-20220265857-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 CYP2C9 4726/4885L3MBTL1 274/4885TERT 2401/4885
US-20180147298-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 CYP2C9 4726/4885L3MBTL1 274/4885TERT 2401/4885
US-20180028664-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 CYP2C9 4726/4885L3MBTL1 274/4885TERT 2401/4885

“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.