SCHEMBL9906188

SCHEMBL9906188

CC(C)C(NP(=O)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MMP2 P08253 3/20 0.44
MMP9 P14780 2/20 0.44
MMP3 P08254 3/20 0.44
MMP13 P45452 2/20 0.44
MMP1 P03956 2/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP7 P09237 1/20 0.44
TSHR P16473 9/20 0.43
CYP3A4 P08684 8/20 0.43
CYP2C9 P11712 6/20 0.43
CYP2D6 P10635 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP2C19 P33261 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL9906190 0.84 TSHR (0.47) SMN1; SMN2LMNAHPGDTSHRCYP3A4
SCHEMBL9906184 0.82 ALDH1A1 (0.53) SMN1; SMN2LMNAGAAHPGDMMP2
SCHEMBL19319581 0.79 LMNA (0.47) SMN1; SMN2LMNAGAAHPGDMMP2
SCHEMBL28731719 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAGAAHPGDTSHR
SCHEMBL6037222 0.77 MEN1 (0.51) SMN1; SMN2LMNAGAAHPGDMMP9
SCHEMBL9906181 0.77 DPP4 (0.49) LMNAGAACYP2C9ALDH1A1
SCHEMBL9906183 0.75 CYP3A4 (0.45) SMN1; SMN2LMNAGAAHPGDMMP3
SCHEMBL31355239 0.74 MMP9 (0.45) SMN1; SMN2LMNAGAAHPGDMMP9
SCHEMBL13334309 0.73 MEN1 (0.50) SMN1; SMN2LMNAGAAHPGDTSHR
SCHEMBL6245283 0.73 MEN1 (0.50) SMN1; SMN2LMNAGAAHPGDTSHR

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-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 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-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA SMN1; SMN2 4486/4885LMNA 2701/4885GAA 2907/4885

“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.