SCHEMBL18954290

SCHEMBL18954290

Cc1ccc(S(=O)(=O)OCCC[N+](C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ PSMD10 O75832 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP24A1 Q07973 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ VDR P11473 1/20 0.38
▸ BBOX1 O75936 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
SCHEMBL18954191 0.95 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL506430 0.89 CA12 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
Hydrochloric Acid SCHEMBL28623706 0.88 CA12 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL483847 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL890725 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL8484861 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL8483813 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL4951882 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL11050599 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL4812770 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA12

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 ALDH1A1 3952/4885CYP3A4 4858/4885CYP2C9 4726/4885
US-10556018-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 ALDH1A1 3952/4885CYP3A4 4858/4885CYP2C9 4726/4885
US-20200206362-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 ALDH1A1 3952/4885CYP3A4 4858/4885CYP2C9 4726/4885
US-10207010-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 ALDH1A1 3952/4885CYP3A4 4858/4885CYP2C9 4726/4885
US-11285222-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 ALDH1A1 3952/4885CYP3A4 4858/4885CYP2C9 4726/4885
US-20220265857-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 ALDH1A1 3952/4885CYP3A4 4858/4885CYP2C9 4726/4885
US-20180147298-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 ALDH1A1 3952/4885CYP3A4 4858/4885CYP2C9 4726/4885
US-20180028664-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 ALDH1A1 3952/4885CYP3A4 4858/4885CYP2C9 4726/4885

“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.

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