SCHEMBL2982189

SCHEMBL2982189

C=CC[C@H](NC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL2982187 1.00 ALDH1A1 (0.37) ALDH1A1LMNAMEN1KMT2ATAS1R3
Hydrochloric Acid SCHEMBL2983171 0.98 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2ATAS1R3
Hydrochloric Acid SCHEMBL2983167 0.98 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2ATAS1R3
SCHEMBL84175 0.82 TAS1R3 (0.38) ALDH1A1LMNAMEN1KMT2ATAS1R3
SCHEMBL13036948 0.82 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2ATAS1R3
SCHEMBL25657485 0.81 SMN1; SMN2 (0.34) KMT2ATAS1R3TAS1R1SMN1; SMN2
SCHEMBL12510951 0.81 ALDH1A1 (0.35) ALDH1A1LMNATAS1R3TAS1R1
SCHEMBL713948 0.80 KDM4E (0.38) ALDH1A1LMNAMEN1KMT2ATAS1R3
SCHEMBL8232821 0.80 KDM4E (0.38) ALDH1A1LMNAMEN1KMT2ATAS1R3
SCHEMBL8061894 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 ALDH1A1 4338/4885LMNA 489/4885MEN1 939/4885

“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.