SCHEMBL18784616

SCHEMBL18784616

COS(=O)(=O)[O-].Cn1c(C(F)(F)F)[n+](Cc2ccccc2)c2ccccc21

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ KDM4E B2RXH2 7/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ APOBEC3A P31941 2/20 0.36
▸ APOBEC3G Q9HC16 2/20 0.36
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL18784582 0.92 LMNA (0.44) LMNAKDM4ERAB9APOLBALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL18784404 0.91 LMNA (0.43) LMNAKDM4ERAB9AALDH1A1NPC1
SCHEMBL18784434 0.87 LMNA (0.49) LMNAKDM4ERAB9APOLBALDH1A1
Bromide SCHEMBL18784483 0.86 APOBEC3A (0.43) LMNAKDM4ERAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL18784390 0.86 APOBEC3A (0.43) LMNAKDM4ERAB9AALDH1A1NPC1
Iodide SCHEMBL18784417 0.86 APOBEC3A (0.46) LMNAKDM4ERAB9AALDH1A1NPC1
Fluoride Ion SCHEMBL18784587 0.86 APOBEC3A (0.43) LMNAKDM4ERAB9AALDH1A1NPC1
SCHEMBL18784575 0.84 APOBEC3A (0.41) LMNAKDM4ERAB9AALDH1A1NPC1
SCHEMBL18784573 0.80 LMNA (0.58) LMNAKDM4ERAB9APOLBALDH1A1
SCHEMBL18784601 0.80 LMNA (0.49) LMNAKDM4ERAB9APOLBALDH1A1

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 3147/4885KDM4E 2539/4885RAB9A 975/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LMNA 3147/4885KDM4E 2539/4885RAB9A 975/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LMNA 3147/4885KDM4E 2539/4885RAB9A 975/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LMNA 3147/4885KDM4E 2539/4885RAB9A 975/4885

“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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