SCHEMBL16997586

SCHEMBL16997586

O=C(O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 15/20 0.57
▸ ELANE P08246 4/20 0.39
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL16989290 0.97 F11 (0.55) F11ELANETPSAB1TPSD1TPSG1
SCHEMBL16998949 0.93 F11 (0.54) F11ELANE
SCHEMBL16998935 0.93 F11 (0.58) F11ELANETPSAB1TPSD1TPSG1
SCHEMBL27046756 0.91 F11 (0.53) F11TPSAB1TPSD1TPSG1
SCHEMBL16997587 0.91 F11 (0.53) F11TPSAB1TPSD1TPSG1
SCHEMBL16997813 0.89 F11 (0.51) F11TPSAB1TPSD1TPSG1
SCHEMBL16997807 0.88 F11 (0.62) F11TPSAB1TPSD1TPSG1
SCHEMBL18476463 0.88 F11 (0.62) F11TPSAB1TPSD1TPSG1
SCHEMBL16991805 0.87 F11 (0.61) F11TPSAB1TPSD1TPSG1
SCHEMBL16989292 0.87 F11 (0.52) F11ELANE

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 12 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
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-9994521-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2018-06-12 — — 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-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
US-9499532-B2 Therapeutic compounds and compositions eXIthera Pharmaceuticals Inc. (US) 2016-11-22 — — US disclosed
US-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 — — US disclosed
US-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 — — US disclosed
WO-2015120062-A2 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 — — WO 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 F11 17/4885ELANE 57/4885TPSAB1 122/4885
US-11198673-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 F11 17/4885ELANE 57/4885TPSAB1 122/4885
US-10259785-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 F11 17/4885ELANE 57/4885TPSAB1 122/4885
US-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 F11 17/4885ELANE 57/4885TPSAB1 122/4885

“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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