SCHEMBL18237188

SCHEMBL18237188

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 8/20 0.61
▸ ACACB O00763 2/20 0.48
▸ OGA O60502 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43

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
SCHEMBL31373869 0.85 PDE2A (0.58) PDE2AACACBALDH1A1CTNNB1WNT3A
SCHEMBL29918974 0.82 PDE2A (0.50) PDE2AACACBOGACTNNB1WNT3A
SCHEMBL16997992 0.82 PDE2A (0.50) PDE2AACACBOGACTNNB1WNT3A
SCHEMBL20901338 0.82 PDE2A (0.50) PDE2AACACBOGACTNNB1WNT3A
SCHEMBL16237380 0.80 PTGS2 (0.58) PDE2AOGACTNNB1WNT3A
SCHEMBL20901313 0.80 PDE2A (0.48) PDE2AACACBOGAALDH1A1ADORA3
SCHEMBL27046445 0.80 PDE2A (0.48) PDE2AACACBOGAALDH1A1ADORA3
SCHEMBL11160226 0.79 PDE2A (0.46) PDE2AACACBOGAGPR55CTNNB1
SCHEMBL27043933 0.78 PDE2A (0.47) PDE2AACACBOGAADORA3ADORA2A
SCHEMBL11167223 0.77 PDE2A (0.47) PDE2AACACBOGAADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 — — EP disclosed
EP-3102200-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS EXITHERA PHARMACEUTICALS INC (US) 2023-04-05 — — EP disclosed
US-11198673-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2021-12-14 — — US disclosed
US-10259785-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2019-04-16 — — US disclosed
US-20180244614-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS EXITHERA PHARMACEUTICALS, INC. 2018-08-30 — — US disclosed
US-9994521-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2018-06-12 — — US disclosed
US-20170037003-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2017-02-09 — — US disclosed
US-9499532-B2 Therapeutic compounds and compositions eXIthera Pharmaceuticals Inc. (US) 2016-11-22 — — 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 (4 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-20170037003-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 PDE2A 624/4885ACACB 1154/4885OGA 2405/4885
US-11198673-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 PDE2A 624/4885ACACB 1154/4885OGA 2405/4885
US-10259785-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 PDE2A 624/4885ACACB 1154/4885OGA 2405/4885
US-20180244614-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 PDE2A 624/4885ACACB 1154/4885OGA 2405/4885

“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