SCHEMBL21591061

SCHEMBL21591061

Cc1cccc(OC(F)F)c1C(=O)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TAS1R3 Q7RTX0 4/20 0.42
▸ TAS1R1 Q7RTX1 4/20 0.42
▸ TAS1R2 Q8TE23 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL21591141 0.86 TAS1R3 (0.51) KCNH2TAS1R3TAS1R1TAS1R2POLB
SCHEMBL21593293 0.83 TAS1R3 (0.56) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL936525 0.81 TAS1R3 (0.57) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL29198392 0.78 ATM (0.42) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL30130915 0.77 TAS1R3 (0.43) KCNH2TAS1R3TAS1R1TAS1R2POLB
SCHEMBL21593391 0.77 TAS1R3 (0.43) KCNH2TAS1R3TAS1R1TAS1R2POLB
SCHEMBL16584089 0.77 POLB (0.55) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL21593332 0.75 PPIA (0.51) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL21593395 0.75 MEN1 (0.40) KCNH2RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13162874 0.75 TAS1R3 (0.47) HPGDNPC1RAB9ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3806853-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES ONCO3R THERAPEUTICS BV (BE) 2026-03-18 — — EP disclosed
US-12264156-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2025-04-01 — — US disclosed
CN-112292129-B Novel compounds and pharmaceutical compositions thereof for the treatment of diseases 加拉帕戈斯股份有限公司 2024-04-19 — — CN disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 — — US disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 — — US disclosed
EP-3806853-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES Galapagos NV (BE) 2021-04-21 — — EP disclosed
CN-112292129-A Novel compounds and pharmaceutical compositions thereof for the treatment of diseases 加拉帕戈斯股份有限公司 2021-01-29 — — CN disclosed
WO-2019238424-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2019-12-19 — — WO disclosed
WO-2019238424-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2019-12-19 — — WO 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 (2 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-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1A, TNF, IL6 KCNH2 4180/4885HPGD 1541/4885NPC1 2653/4885
US-12264156-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases TNF, IL1A, COL1A1 KCNH2 4234/4885HPGD 1374/4885NPC1 2662/4885

“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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