SCHEMBL18784540

SCHEMBL18784540

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ APOBEC3A P31941 2/20 0.35
▸ APOBEC3G Q9HC16 2/20 0.35
▸ PSMD14 O00487 1/20 0.35
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PKM P14618 1/20 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
SCHEMBL18784459 0.87 LMNA (0.40) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18784458 0.87 LMNA (0.40) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL17378576 0.86 ALDH1A1 (0.37) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18784434 0.78 LMNA (0.49) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18784436 0.78 LMNA (0.49) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18784614 0.76 LMNA (0.38) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18784617 0.76 LMNA (0.38) KDM4EALDH1A1LMNAMEN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL18784542 0.75 KCNH2 (0.41) LMNAHTTSMN1; SMN2POLBALOX15
Trifluoromethanesulfonic Acid SCHEMBL18784543 0.75 LMNA (0.38) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18807748 0.70 ERAP1 (0.36) KDM4EALDH1A1LMNAMEN1KMT2A

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 KDM4E 2539/4885ALDH1A1 2072/4885LMNA 3147/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 KDM4E 2539/4885ALDH1A1 2072/4885LMNA 3147/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 KDM4E 2539/4885ALDH1A1 2072/4885LMNA 3147/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 KDM4E 2539/4885ALDH1A1 2072/4885LMNA 3147/4885

“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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