SCHEMBL18784533

SCHEMBL18784533

CCn1c(C(F)(F)F)[n+](C)c2ccccc21.F[B-](F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ATM Q13315 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ACHE P22303 5/20 0.36
▸ BCHE P06276 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ APOBEC3A P31941 2/20 0.33
▸ APOBEC3G Q9HC16 2/20 0.33
▸ AR P10275 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
Iodide SCHEMBL18784513 0.94 PTPN1 (0.41) SMN1; SMN2HTTHPGDATMPTPN1
Bromide SCHEMBL19095358 0.94 ATM (0.41) SMN1; SMN2HTTLMNAHPGDATM
Fluoride Ion SCHEMBL18784475 0.94 PTPN1 (0.38) SMN1; SMN2HTTLMNAHPGDATM
Hydrochloric Acid SCHEMBL18784499 0.94 PTPN1 (0.38) SMN1; SMN2HTTLMNAHPGDATM
SCHEMBL18784614 0.86 LMNA (0.38) HTTLMNAATMPTPN1ACHE
Trifluoromethanesulfonic Acid SCHEMBL18784542 0.85 KCNH2 (0.41) SMN1; SMN2HTTLMNAATMACHE
SCHEMBL18784574 0.84 TNF (0.39) SMN1; SMN2LMNAACHECYP1A2ALDH1A1
SCHEMBL18784436 0.83 LMNA (0.49) SMN1; SMN2HTTLMNAHPGDATM
SCHEMBL18784458 0.82 LMNA (0.40) SMN1; SMN2HTTLMNAATMACHE
SCHEMBL18784460 0.80 ERAP1 (0.45) HTTLMNAPTPN1ACHEALDH1A1

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 SMN1; SMN2 4434/4885HTT 3680/4885LMNA 3147/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 SMN1; SMN2 4434/4885HTT 3680/4885LMNA 3147/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 SMN1; SMN2 4434/4885HTT 3680/4885LMNA 3147/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 SMN1; SMN2 4434/4885HTT 3680/4885LMNA 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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