SCHEMBL16997818

SCHEMBL16997818

CCO[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.52
▸ CMA1 P23946 1/20 0.51
▸ TPSAB1 Q15661 1/20 0.44
▸ TPSD1 Q9BZJ3 1/20 0.44
▸ TPSG1 Q9NRR2 1/20 0.44

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
SCHEMBL24092178 0.92 F11 (0.53) F11CMA1TPSAB1TPSD1TPSG1
SCHEMBL16997855 0.92 F11 (0.53) F11CMA1TPSAB1TPSD1TPSG1
SCHEMBL17002108 0.88 CMA1 (0.56) F11CMA1TPSAB1TPSD1TPSG1
SCHEMBL16998466 0.86 F11 (0.57) F11
SCHEMBL16997887 0.85 CMA1 (0.64) F11CMA1TPSAB1TPSD1TPSG1
SCHEMBL16998474 0.85 F11 (0.53) F11
SCHEMBL13801437 0.84 F11 (0.67) F11TPSAB1TPSD1TPSG1
SCHEMBL3337914 0.84 F11 (0.67) F11TPSAB1TPSD1TPSG1
SCHEMBL20318968 0.84 F11 (0.59) F11
SCHEMBL20318950 0.84 F11 (0.59) F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 17/4885CMA1 83/4885TPSAB1 122/4885
US-11198673-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 F11 17/4885CMA1 83/4885TPSAB1 122/4885
US-10259785-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 F11 17/4885CMA1 83/4885TPSAB1 122/4885
US-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 F11 17/4885CMA1 83/4885TPSAB1 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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