SCHEMBL20430613

SCHEMBL20430613

O=C(O)Cn1nc(C(F)(F)F)c2c1C(F)(F)CC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.58
▸ TSHR P16473 3/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLQ O75417 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 6/20 0.36
▸ TP53 P04637 2/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL28989466 0.83 LMNA (0.48) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL15708270 0.82 TRPM2 (0.43) LMNATSHRNPSR1GAATDP1
SCHEMBL18853767 0.79 LMNA (0.36) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL20079046 0.79 LMNA (0.38) LMNATSHRNPSR1ALDH1A1
SCHEMBL15708216 0.77 LMNA (0.58) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL14487956 0.76 TRPM2 (0.46) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL24088583 0.76 LMNA (0.50) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL19890880 0.76 LMNA (0.50) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL24165329 0.76 LMNA (0.50) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL15708958 0.74 LMNA (0.62) LMNATSHRNPSR1GAAALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4092020-B1 SOLID FORMS OF AN HIV CAPSID INHIBITOR GILEAD SCIENCES INC (US) 2024-07-10 — — EP disclosed
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 — — EP disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 — — EP disclosed
WO-2021104413-A1 FUSED PYRIDINE RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-06-03 — — WO disclosed
US-20200262815-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2020-08-20 — — US disclosed
WO-2019035973-A1 CHOLINE SALT FORMS OF AN HIV CAPSID INHIBITOR GILEAD SCIENCES, INC (US) 2019-02-21 — — WO disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 — — 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 (1 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-20200262815-A1 THERAPEUTIC COMPOUNDS HAVCR2, MAVS, EIF2AK2 LMNA 4352/4885TSHR 4787/4885NPSR1 4064/4885

“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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