SCHEMBL21487338

SCHEMBL21487338

FC(F)(F)Oc1cccc(O[SiH3])c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
GPR3 P46089 2/20 0.42
GALR1 P47211 1/20 0.42
CETP P11597 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DAO P14920 1/20 0.39
MPI P34949 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL3147185 0.89 GPR3 (0.50) KIF11GPR3GALR1CETPCHRM2
SCHEMBL3146332 0.80 GPR3 (0.44) KIF11GPR3CETPCHRM2CHRM1
SCHEMBL11527555 0.78 KIF11 (0.51) KIF11CETP
SCHEMBL19287491 0.78 CETP (0.44) KIF11GPR3GALR1CETPCHRM2
SCHEMBL1526051 0.78 GPR3 (0.42) KIF11GPR3GALR1CETPCHRM2
SCHEMBL1526052 0.78 NPC1 (0.53)
SCHEMBL6764359 0.78 KCNH2 (0.44) KIF11GPR3CETPCHRM2CHRM1
SCHEMBL14450778 0.78 KIF11 (0.47) KIF11GPR3GALR1CETPCHRM2
SCHEMBL2094855 0.77 GPR3 (0.45) KIF11GPR3GALR1CETPCHRM2
SCHEMBL177506 0.77 GPR3 (0.41) KIF11GPR3GALR1CETPCHRM2

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
CN-110114358-B Novel compound and pharmacologically acceptable salt thereof 明治制果药业株式会社 2021-12-03 CN disclosed
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-10-14 US disclosed
EP-3560925-B1 NOVEL COMPOUND AND PHARMACEUTICALLY-ACCEPTABLE SALT THEREOF MEIJI SEIKA PHARMA CO LTD (JP) 2021-06-02 EP disclosed
EP-3815687-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seika Pharma Co., Ltd. (JP) 2021-05-05 EP disclosed
CN-112312914-A Therapeutic agent for inflammatory disease, autoimmune disease, fibrotic disease, and cancer disease 明治制果药业株式会社 2021-02-02 CN disclosed
US-10669283-B2 Compound and pharmacologically acceptable salt thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2020-06-02 US disclosed
WO-2020004521-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seikaファルマ株式会社 2020-01-02 WO disclosed
EP-3560925-A1 NOVEL COMPOUND AND PHARMACEUTICALLY-ACCEPTABLE SALT THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2019-10-30 EP disclosed
US-20190322686-A1 NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2019-10-24 US 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 (3 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-20190322686-A1 NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF REN, CYP11B1, CYP11B2 KIF11 3207/4885GPR3 799/4885GALR1 696/4885
US-10669283-B2 Compound and pharmacologically acceptable salt thereof REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 KIF11 3373/4885GPR3 905/4885GALR1 755/4885
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES CCR1, SSB, C5 KIF11 4664/4885GPR3 965/4885GALR1 816/4885

“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.