SCHEMBL16600646

SCHEMBL16600646

CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCC(OCc4ccc(F)c(F)c4)CC3)c3c(F)c(Cl)ccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 17/20 0.67
DRD4 P21917 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
DRD3 P35462 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42

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
SCHEMBL16600262 0.93 ENPP2 (0.72) ENPP2DRD4SIGMAR1DRD3TMEM97
SCHEMBL16600385 0.85 ENPP2 (0.76) ENPP2
SCHEMBL16600380 0.84 ENPP2 (0.75) ENPP2
SCHEMBL16600261 0.82 ENPP2 (0.79) ENPP2
SCHEMBL19723253 0.82 ENPP2 (0.79) ENPP2
SCHEMBL16600451 0.80 ENPP2 (1.00) ENPP2
SCHEMBL17940606 0.80 ENPP2 (0.65) ENPP2
SCHEMBL16600467 0.79 ENPP2 (0.80) ENPP2
SCHEMBL16614234 0.79 ENPP2 (0.63) ENPP2
SCHEMBL16600656 0.78 ENPP2 (0.86) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 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 (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-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 ENPP2 1/4885DRD4 4856/4885SIGMAR1 4804/4885

“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.