SCHEMBL18784458

SCHEMBL18784458

CCOS(=O)(=O)[O-].CCn1c(C(F)(F)F)[n+](C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ RGS12 O14924 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ TP53 P04637 2/20 0.32

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
SCHEMBL18784436 0.91 LMNA (0.49) LMNAATMKDM4EALDH1A1MEN1
SCHEMBL18784614 0.90 LMNA (0.38) LMNAATMKDM4EALDH1A1MEN1
Trifluoromethanesulfonic Acid SCHEMBL18784542 0.89 KCNH2 (0.41) LMNAATMPOLBHTTMAPK1
SCHEMBL18784540 0.87 KDM4E (0.37) LMNAKDM4EALDH1A1MEN1KMT2A
Bromide SCHEMBL19095358 0.84 ATM (0.41) LMNAATMKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL18784499 0.84 PTPN1 (0.38) LMNAATMKDM4EALDH1A1MEN1
Fluoride Ion SCHEMBL18784475 0.84 PTPN1 (0.38) LMNAATMKDM4EALDH1A1MEN1
Iodide SCHEMBL18784513 0.84 PTPN1 (0.41) ATMKDM4EALDH1A1MEN1KMT2A
SCHEMBL18784533 0.82 SMN1; SMN2 (0.37) LMNAATMKDM4EALDH1A1MEN1
SCHEMBL18784615 0.79 LMNA (0.55) LMNAKDM4EALDH1A1MEN1KMT2A

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-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 — — EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 — — US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 — — US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 — — EP 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 (4 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LMNA 3147/4885ATM 2573/4885KDM4E 2539/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LMNA 3147/4885ATM 2573/4885KDM4E 2539/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LMNA 3147/4885ATM 2573/4885KDM4E 2539/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LMNA 3147/4885ATM 2573/4885KDM4E 2539/4885

“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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