SCHEMBL16731415

SCHEMBL16731415

CCCCCCCCCCCCCCCCCOC(=O)C1C2C=CC(O2)C1C(=O)N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.39
▸ PPP5C P53041 2/20 0.38
▸ PPP2CA P67775 1/20 0.38
▸ TFPI2 P48307 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CHRM2 P08172 3/20 0.34
▸ CHRM4 P08173 3/20 0.34
▸ CHRM5 P08912 3/20 0.34
▸ CHRM1 P11229 3/20 0.34
▸ CHRM3 P20309 3/20 0.34
▸ GNAI3 P08754 2/20 0.34
▸ GNAO1 P09471 2/20 0.34
▸ GNAI1 P63096 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL16731269 1.00 PPARG (0.39) PPARGPPP5CPPP2CATFPI2NPY4R
SCHEMBL16731414 0.93 MGLL (0.37) THRBALDH1A1MAPT
SCHEMBL16731268 0.90 PPP5C (0.41) PPP5CPPP2CATFPI2NPY4RTSHR
SCHEMBL16731276 0.82 TFPI2 (0.56) PPARGPPP5CPPP2CATFPI2NPY4R
SCHEMBL26377846 0.82 TFPI2 (0.56) PPARGPPP5CPPP2CATFPI2NPY4R
SCHEMBL17585970 0.82 TFPI2 (0.56) PPARGPPP5CPPP2CATFPI2NPY4R
SCHEMBL16731299 0.82 TFPI2 (0.56) PPARGPPP5CPPP2CATFPI2NPY4R
SCHEMBL16731301 0.79 PPP5C (0.47) PPP5CPPP2CATFPI2NPY4RTHRB
SCHEMBL16731419 0.79 PPP5C (0.47) PPP5CPPP2CATFPI2NPY4RTHRB
SCHEMBL18047220 0.79 PPP5C (0.47) PPP5CPPP2CATFPI2NPY4RTHRB

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-20160264593-A1 PROTEIN PHOSPHATASE INHIBITORS THAT CROSS THE BLOOD BRAIN BARRIER LIXTE BIOTECHNOLOGY, INC. 2016-09-15 — — US disclosed
US-20160264593-A1 PROTEIN PHOSPHATASE INHIBITORS THAT CROSS THE BLOOD BRAIN BARRIER LIXTE BIOTECHNOLOGY, INC. 2016-09-15 — — US disclosed
WO-2015073802-A1 PROTEIN PHOSPHATASE INHIBITORS THAT CROSS THE BLOOD BRAIN BARRIER LIXTE BIOTECHNOLOGY, INC. (US) 2015-05-21 — — 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-20160264593-A1 PROTEIN PHOSPHATASE INHIBITORS THAT CROSS THE BLOOD BRAIN BARRIER DUSP1, PPP5C, DUSP15 PPARG 4476/4885PPP5C 2/4885PPP2CA 31/4885

“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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