SCHEMBL6434085

SCHEMBL6434085

COc1ccc(CNCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
DPP7 Q9UHL4 2/20 0.50
NPC1 O15118 2/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 1/20 0.49
ANPEP P15144 1/20 0.49
ERAP2 Q6P179 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CHRM2 P08172 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46

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
Hydrochloric Acid SCHEMBL6436259 0.98 MEN1 (0.50) MEN1KMT2ADPP7NPC1EPHX2
SCHEMBL206952 0.85 MEN1 (0.57) MEN1KMT2ADPP7NPC1ATM
SCHEMBL14205020 0.84 KMT2A (0.46) MEN1KMT2ANPC1ATMCHRM2
SCHEMBL8421187 0.84 VSIR (0.44) ATMMAPTGAA
SCHEMBL13662612 0.84 ATM (0.44) MEN1KMT2AATMANPEPERAP2
SCHEMBL15876277 0.84 MTNR1A (0.42) ATMMAPTGAA
SCHEMBL5190209 0.84 LMNA (0.59) NPC1RAB9AHDAC1KDM4EALDH1A1
SCHEMBL1109881 0.83 S1PR1 (0.42) MEN1KMT2AATMMAPTGAA
SCHEMBL13605089 0.83 ANPEP (0.50) MEN1KMT2ANPC1EPHX2RAB9A
SCHEMBL8139519 0.83 TPSAB1 (0.45) ATMANPEPERAP2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
WO-2004087656-A1 CONJUGATES OF 2,4-ETHANO-BRIDGED AND 2,4-PROPANO-BRIDGED 3,6,9-TRIAZA-NONANOIC ACID, 3N,6N,9,9N-TETRAETHANOIC ACID, AND CORRESPONDING PHOSPHORIC ACID METHYLENE DERIVATIVES AND THE SUBSTITUTION PRODUCTS THEREOF WITH BIOMOLECULES, METHODS FOR THE PRODUCTION THEREOF, AND THE USE OF THE SAME FOR PRODU SCHERING AKTIENGESELLSCHAFT (DE) 2004-10-14 WO disclosed
EP-0951471-B1 CYCLOALKYL INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2004-03-17 EP disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
CN-1318059-A Isoquinolines as urokinase inhibitors PFIZER (US) 2001-10-17 CN disclosed
US-6281194-B1 E.G., (S)-(1-((4-BENZYLOXY-BENZYL)-(((1-PHENYL-CYCLOBUTYLMETHYL)-CAR BAMOYL)-METHYL)-CARBAMOYL)-2-(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMI C ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2001-08-28 US disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 US disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 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 (2 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 MEN1 4591/4885KMT2A 4810/4885DPP7 813/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 MEN1 4591/4885KMT2A 4810/4885DPP7 813/4885

“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.