SCHEMBL20901338

SCHEMBL20901338

C[C@H](NC(=O)Oc1ccccc1)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.50
▸ ACACB O00763 4/20 0.47
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ OGA O60502 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ACACA Q13085 2/20 0.39
▸ SLC1A3 P43003 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
SCHEMBL16997992 1.00 PDE2A (0.50) PDE2AACACBCTNNB1WNT3AOGA
SCHEMBL29918974 1.00 PDE2A (0.50) PDE2AACACBCTNNB1WNT3AOGA
SCHEMBL18237188 0.82 PDE2A (0.61) PDE2AACACBCTNNB1WNT3AOGA
SCHEMBL31373869 0.81 PDE2A (0.58) PDE2AACACBCTNNB1WNT3A
SCHEMBL29947811 0.76 ALDH1A1 (0.64) CTNNB1WNT3APOLB
SCHEMBL8134776 0.76 ALDH1A1 (0.54) ACACBFAAHHPGDACACASLC1A3
SCHEMBL9046891 0.76 ALDH1A1 (0.54) ACACBFAAHHPGDACACASLC1A3
SCHEMBL8701763 0.76 ALDH1A1 (0.54) ACACBFAAHHPGDACACASLC1A3
SCHEMBL21793241 0.75 ALDH1A1 (0.61) ACACBFAAHPOLBACACASLC1A3
SCHEMBL27764271 0.75 ALDH1A1 (0.61) ACACBFAAHPOLBACACASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259785-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2019-04-16 — — 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-10259785-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 PDE2A 624/4885ACACB 1154/4885CTNNB1 3511/4885

“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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