SCHEMBL7124555

SCHEMBL7124555

CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O.O=C(O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
POLB P06746 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GRN P28799 3/20 0.50
SORT1 Q99523 3/20 0.50
MEN1 O00255 2/20 0.50
CA2 P00918 3/20 0.49
CA1 P00915 3/20 0.49
FPR2 P25090 1/20 0.48
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CTSB P07858 1/20 0.44
ICMT O60725 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 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
SCHEMBL735245 0.89 ALDH1A1 (0.72) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL452264 0.89 ALDH1A1 (0.72) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL452263 0.89 ALDH1A1 (0.72) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL16684621 0.81 ALDH1A1 (0.64) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL18620660 0.81 CA2 (0.66) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL20485149 0.81 CA2 (0.66) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL457080 0.78 ALDH1A1 (0.56) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL455429 0.78 ALDH1A1 (0.56) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL455428 0.78 ALDH1A1 (0.56) KMT2APOLBKDM4EALDH1A1GRN
SCHEMBL8964493 0.77 TAS1R3 (0.65) KMT2APOLBKDM4EALDH1A1

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-20030097002-A1 Enantioselective reactions using two-component chiral phase transfer catalysts in multiphasic systems THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-05-22 US disclosed
WO-2002092562-A2 ENANTIOSELECTIVE REACTIONS USING TWO-COMPONENT CHIRAL PHASE TRANSFER CATALYSTS IN MULTIPHASIC SYSTEMS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-11-21 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-20030097002-A1 Enantioselective reactions using two-component chiral phase transfer catalysts in multiphasic systems COASY, MOGAT2, ICMT KMT2A 468/4885POLB 675/4885KDM4E 3273/4885

“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.