SCHEMBL16989305

SCHEMBL16989305

C[C@H](c1ccc2c(c1)OC(F)(F)O2)N(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 3/20 0.47
▸ WNT3A P56704 3/20 0.47
▸ PDE2A O00408 10/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ OGA O60502 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ GPR183 P32249 1/20 0.35

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
SCHEMBL29085951 1.00 CTNNB1 (0.47) CTNNB1WNT3APDE2AHDAC4OGA
SCHEMBL31373869 0.77 PDE2A (0.58) CTNNB1WNT3APDE2AACACB
SCHEMBL3314656 0.73 NPC1 (0.46) —
SCHEMBL11167223 0.72 PDE2A (0.47) CTNNB1WNT3APDE2AOGAACACB
SCHEMBL18237188 0.71 PDE2A (0.61) CTNNB1WNT3APDE2AOGAACACB
SCHEMBL17541572 0.71 PDE2A (0.44) CTNNB1WNT3APDE2AOGAACACB
SCHEMBL26938923 0.71 PDE2A (0.44) CTNNB1WNT3APDE2AOGAACACB
SCHEMBL26923716 0.71 PDE2A (0.44) CTNNB1WNT3APDE2AOGAACACB
SCHEMBL30687097 0.71 PDE2A (0.44) CTNNB1WNT3APDE2AOGAACACB
SCHEMBL15943248 0.71 PDE2A (0.44) CTNNB1WNT3APDE2AOGAACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444506-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2023-07-18 — — CN disclosed
CN-108892661-B Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2023-03-14 — — CN disclosed
US-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 — — 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 (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-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 CTNNB1 3511/4885WNT3A 2586/4885PDE2A 624/4885

“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.

Send feedback