SCHEMBL18011186

SCHEMBL18011186

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cccc(Br)c2)C(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.68
▸ ATM Q13315 2/20 0.68
▸ MEN1 O00255 1/20 0.66
▸ CTSB P07858 1/20 0.55
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACE P12821 1/20 0.45
▸ ACACB O00763 4/20 0.44
▸ ACACA Q13085 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL16606805 1.00 KMT2A (0.68) KMT2AATMMEN1CTSBCTSS
SCHEMBL18011263 0.92 KMT2A (0.57) KMT2AATMMEN1CTSBCTSS
SCHEMBL16606611 0.92 KMT2A (0.57) KMT2AATMMEN1CTSBCTSS
SCHEMBL388983 0.90 KMT2A (0.82) KMT2AATMMEN1CTSBCTSS
SCHEMBL388984 0.90 KMT2A (0.82) KMT2AATMMEN1CTSBCTSS
SCHEMBL28057007 0.90 KMT2A (0.82) KMT2AATMMEN1CTSBCTSS
SCHEMBL25964575 0.89 KMT2A (0.68) KMT2AATMMEN1MAPK1LMNA
SCHEMBL30309096 0.89 KMT2A (0.68) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16604349 0.89 KMT2A (0.69) KMT2AATMMEN1CTSSCTSK
SCHEMBL18093140 0.89 KMT2A (0.69) KMT2AATMMEN1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-25 — — 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-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KMT2A 1492/4885ATM 1376/4885MEN1 1933/4885

“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.

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