SCHEMBL9892480

SCHEMBL9892480

CC(C)N(C(=O)[C@@H](C)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30
KCNA5 P22460 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
SCHEMBL31093177 1.00 TP53 (0.42) TP53P2RX1P2RX3P2RX4P2RX7
SCHEMBL5555504 0.81 TP53 (0.35) TP53P2RX1P2RX3P2RX4P2RX7
SCHEMBL6390168 0.81 TP53 (0.35) TP53P2RX1P2RX3P2RX4P2RX7
SCHEMBL1647708 0.78 P2RX4 (0.31) TP53P2RX1P2RX3P2RX4P2RX7
SCHEMBL1420181 0.73 TP53 (0.47) TP53
SCHEMBL28395101 0.73
SCHEMBL22648801 0.73
SCHEMBL11494903 0.73 ALDH1A1 (0.35) KCNA5
SCHEMBL8229447 0.73 TP53 (0.40) TP53
SCHEMBL31093201 0.73 TP53 (0.40) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS THIRUVENGADAM TIRUVETTIPURAM K (US) 2012-11-29 US disclosed
US-8273790-B2 Exo-selective synthesis of himbacine analogs SCHERING CORPORATION (US) 2012-09-25 US disclosed
US-20120142914-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS TOPROL ACQUISITION LLC 2012-06-07 US disclosed
US-8138180-B2 Exo-selective synthesis of himbacine analogs SCHERING CORPORATION (US) 2012-03-20 US disclosed
US-20100267947-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2010-10-21 US disclosed
US-7772276-B2 Exo-selective synthesis of himbacine analogs SCHERING CORPORATION (US) 2010-08-10 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 (3 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-20100267947-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS CHKB, BDKRB1, EDNRB TP53 4687/4885P2RX1 2890/4885P2RX3 2387/4885
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS CHKB, BDKRB1, EDNRB TP53 4687/4885P2RX1 2890/4885P2RX3 2387/4885
US-20120142914-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS CHKB, BDKRB1, EDNRB TP53 4687/4885P2RX1 2890/4885P2RX3 2387/4885

“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.