SCHEMBL887417

SCHEMBL887417

Cc1ccc(S(=O)(=O)N(C(C2CCCCC2)C(N)C2CCCCC2)P(O)(=S)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 2/20 0.37
BACE1 P56817 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 2/20 0.34
HPN P05981 4/20 0.34
PLAU P00749 3/20 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
SCHEMBL887315 0.88 TSHR (0.38) METAP2PSEN1PSEN2APH1BNCSTN
SCHEMBL887371 0.75 AGER (0.41) POLBPLAUMEN1KMT2AAGER
SCHEMBL887361 0.70 HTR2A (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15218689 0.65 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9502275 0.64 ALDH1A1 (0.49) METAP2ALDH1A1GAAKCNH2TSHR
SCHEMBL887320 0.64 AGER (0.42) POLBMEN1KMT2AAGERCNR2
SCHEMBL3280160 0.62 POLB (0.54) ALDH1A1GAATSHRCYP3A4POLB
SCHEMBL887415 0.61 GAA (0.50) ALDH1A1GAATSHRCYP3A4POLB
Cyclohexylglycyl SCHEMBL3568680 0.61 ADORA3 (0.46) METAP2ALDH1A1GAAKCNH2TSHR
Cyclohexylglycyl SCHEMBL3574344 0.61 ADORA3 (0.46) METAP2ALDH1A1GAAKCNH2TSHR

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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 (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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 METAP2 1622/4885PSEN1 358/4885PSEN2 580/4885

“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.