SCHEMBL1780779

SCHEMBL1780779

CC(C)(C)OC(=O)N(Nc1ccc(C=O)c(F)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRM2 Q14416 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CTSS P25774 2/20 0.30
ERN1 O75460 1/20 0.30
CTSK P43235 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
SCHEMBL4550843 0.73 AKT1 (0.33) SSTR4LMNAPOLBCTSS
SCHEMBL1578571 0.71 CES2 (0.35) ERN1
SCHEMBL1783526 0.69 F13A1 (0.33) LMNA
SCHEMBL29606291 0.69 PDK2 (0.42) SSTR4AAK1
SCHEMBL1780780 0.68 AKT1 (0.36) CTSSCTSK
SCHEMBL9821031 0.68 HDAC1 (0.41) POLBERN1
SCHEMBL28450166 0.67 PRMT1 (0.39) LMNAPOLB
SCHEMBL30039919 0.67 PRMT1 (0.39) LMNAPOLB
SCHEMBL31166817 0.67 RXFP1 (0.44) LMNAPOLBERN1
SCHEMBL29954656 0.65 KCNQ4 (0.46) LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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 (2 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R SSTR4 2031/4885LMNA 2884/4885POLB 3933/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R SSTR4 2031/4885LMNA 2884/4885POLB 3933/4885

“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.