SCHEMBL4095224

SCHEMBL4095224

CCOC(=O)C1CCC2(CCN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8193080 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL13076801 0.81 LMNA (0.46) ALDH1A1KMT2AMEN1GAATSHR
SCHEMBL4101227 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL13077868 0.79 LMNA (0.41) ALDH1A1KMT2AMEN1GAATSHR
SCHEMBL17158265 0.78 KMT2A (0.48) ALDH1A1KMT2AMEN1GAATSHR
SCHEMBL17158194 0.77 KMT2A (0.48) ALDH1A1KMT2AMEN1GAATSHR
SCHEMBL13888874 0.77 MEN1 (0.51) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL17158232 0.77 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL2570325 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL13039203 0.75 HTR6 (0.46) ALDH1A1KMT2AMEN1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 US disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 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-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES REN, AVPR1B, WNK1 ALDH1A1 1177/4885KMT2A 2724/4885MEN1 2498/4885
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives REN, AVPR1B, WNK1 ALDH1A1 1177/4885KMT2A 2724/4885MEN1 2498/4885

“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.