SCHEMBL10270101

SCHEMBL10270101

Cc1ccccc1C(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
S1PR4 O95977 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
XBP1 P17861 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSS P25774 4/20 0.43
CTSK P43235 3/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 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
SCHEMBL29747547 1.00 JAK2 (0.43) JAK2S1PR4LMNAHPGDXBP1
SCHEMBL29748599 1.00 JAK2 (0.43) JAK2S1PR4LMNAHPGDXBP1
SCHEMBL22457063 0.89 JAK2 (0.43) JAK2S1PR4LMNAHPGDXBP1
SCHEMBL21714670 0.87 MAPT (0.43) JAK2S1PR4LMNAHPGDXBP1
SCHEMBL19744371 0.86 CTSA (0.55)
SCHEMBL19744367 0.86 CTSA (0.55)
SCHEMBL31757758 0.86 CTSA (0.55)
SCHEMBL12522405 0.85 NPSR1 (0.41) JAK2S1PR4LMNAHPGDXBP1
SCHEMBL25445027 0.84 CTSS (0.47) NPSR1CTSSCTSKATMALDH1A1
SCHEMBL10216878 0.84 CTSS (0.42) LMNAHPGDXBP1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2024-05-23 US disclosed
WO-2022140224-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. (US) 2022-06-30 WO disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 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-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BCL3, BCL2L1 JAK2 408/4885S1PR4 1166/4885LMNA 2464/4885
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 JAK2 896/4885S1PR4 2648/4885LMNA 726/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 JAK2 896/4885S1PR4 2648/4885LMNA 726/4885

“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.