SCHEMBL7757842

SCHEMBL7757842

CC(C)(C)NC(=O)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
GAA P10253 2/20 0.59
MPO P05164 1/20 0.59
HIF1A Q16665 1/20 0.59
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 7/20 0.53
HPGD P15428 5/20 0.53
HTT P42858 4/20 0.53
HSD17B10 Q99714 4/20 0.53
TP53 P04637 3/20 0.53
NPC1 O15118 3/20 0.53
TSHR P16473 1/20 0.52
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 1/20 0.51
USP2 O75604 1/20 0.51
NFKB1 P19838 1/20 0.51

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
Bromide SCHEMBL6849900 0.98 KDM4E (0.57) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL7672296 0.88 KDM4E (0.59) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL6748722 0.87 MAPT (0.61) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL28857264 0.85 KDM4E (0.55) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL12669771 0.83 MAPT (0.50) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL14036676 0.82 NPSR1 (0.60) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL13973077 0.82 G6PD (0.55) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL9826699 0.81 LMNA (0.48) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL6633938 0.81 CA1 (0.56) KDM4ESMN1; SMN2GAAMPOHIF1A
SCHEMBL6213988 0.80 LMNA (0.53) KDM4ESMN1; SMN2GAAMPOHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111699250-A Carboxyesterase polypeptides for amide coupling 科德克希思公司 2020-09-22 CN claimed
US-6271265-B1 N-TERT-BUTYL-2-HYDROXYBENZAMIDE FOR INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. 2001-08-07 US claimed
EP-1077699-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP claimed
WO-1999059582-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed
CN-111699250-B Carboxylesterase polypeptides for amide coupling 科德克希思公司 2024-01-09 CN disclosed
US-20200317649-A1 AZOLE ANALOGUES AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2020-10-08 US disclosed
CN-111699250-A Carboxyesterase polypeptides for amide coupling 科德克希思公司 2020-09-22 CN disclosed
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 US disclosed
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 US disclosed
US-6271265-B1 N-TERT-BUTYL-2-HYDROXYBENZAMIDE FOR INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. 2001-08-07 US disclosed
EP-1077699-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP disclosed
WO-1999059582-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
US-4900725-A CONTRACEPTIVES ROUSSEL UCLAF (FR) 1990-02-13 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 (3 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-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators EIF2AK1, EIF2A, EIF4A2 KDM4E 872/4885SMN1; SMN2 1193/4885GAA 1244/4885
US-20200317649-A1 AZOLE ANALOGUES AND METHODS OF USE THEREOF SHH, SMO, GLI1 KDM4E 3053/4885SMN1; SMN2 4215/4885GAA 2117/4885
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION GCGR, STUB1, GID4 KDM4E 1507/4885SMN1; SMN2 3654/4885GAA 1394/4885

“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.