SCHEMBL17549500

SCHEMBL17549500

CCC(C)[C@H](N)C(=O)OCOc1c(C(C)C)cccc1[C@H](C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 6/20 0.35
DPP9 Q86TI2 5/20 0.35
DPP7 Q9UHL4 4/20 0.35
DPP4 P27487 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
IARS1 P41252 6/20 0.33

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 SCHEMBL17537211 0.93 DPP7 (0.38) DPP8DPP9DPP7DPP4IARS1
SCHEMBL17549493 0.90 SCN5A (0.34) SCN5ASCN9ASCN10A
SCHEMBL21154976 0.83 LARS1 (0.33) SCN5ASCN9ASCN10A
SCHEMBL17549495 0.83 LARS1 (0.33) SCN5ASCN9ASCN10A
Trifluoroacetic Acid SCHEMBL17537151 0.83 DPP4 (0.36) DPP8DPP9DPP7DPP4
SCHEMBL21155378 0.83 DPP8 (0.34) DPP8DPP9DPP7DPP4SCN5A
SCHEMBL17549488 0.82 SCN5A (0.35) SCN5ASCN9ASCN10A
SCHEMBL17549499 0.81 SCN5A (0.34) SCN5ASCN9ASCN10A
SCHEMBL17549504 0.81 TYR (0.40) DPP4
SCHEMBL17537132 0.80 SCN5A (0.38) SCN5ASCN9ASCN10A

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-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
CN-104507899-B Phenol derivative, preparation method and medical application thereof 四川海思科制药有限公司 2016-11-30 CN disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 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-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF CYP2D6, CYP2B6, CYP2A6 DPP8 835/4885DPP9 985/4885DPP7 369/4885

“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.