SCHEMBL3133271

SCHEMBL3133271

C[C@]1(C(=O)O)CCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL2451197 1.00 FFAR3 (0.37) FFAR3TSHRNFKB1CYP2C19DPP4
SCHEMBL15125244 1.00 FFAR3 (0.37) FFAR3TSHRNFKB1CYP2C19DPP4
SCHEMBL17157143 0.94 FFAR3 (0.36) FFAR3
SCHEMBL17157141 0.94 FFAR3 (0.36) FFAR3
SCHEMBL22208430 0.86 FFAR3 (0.40) FFAR3
SCHEMBL2682019 0.85 CYP3A4 (0.40) FFAR3
SCHEMBL2682939 0.85 CYP3A4 (0.40) FFAR3
SCHEMBL2682021 0.85 CYP3A4 (0.40) FFAR3
SCHEMBL6761647 0.85 FFAR3 (0.31) FFAR3
SCHEMBL29191746 0.83 FFAR3 (0.34) FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107072993-B Pharmaceutical containing sodium-dependent phosphate transporter inhibitor 中外制药株式会社 2021-02-12 CN disclosed
CN-104877001-B Antifungal formulations 西尼克斯公司 2020-07-03 CN disclosed
CN-102176828-B Antifungal preparation SCYNEXIS, INC. (US) 2015-11-25 CN disclosed
CN-104877001-A Antifungal Agents SCYNEXIS INC 2015-09-02 CN disclosed
CN-102176827-B Antifungal formulations SCYNEXIS INC 2015-05-20 CN disclosed
EP-2326180-B1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
WO-2010019204-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
EP-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 EP 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-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 FFAR3 1958/4885TSHR 4815/4885NFKB1 2936/4885

“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.