SCHEMBL5555207

SCHEMBL5555207

CC(NC(=O)C(F)(F)F)NC(C)NC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MLYCD O95822 2/20 0.34
EPHX1 P07099 1/20 0.33
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL6429491 0.83 CA2 (0.46) CA2ALDH1A1POLBSMN1; SMN2ESR1
SCHEMBL958597 0.79 CA2 (0.46) CA2ALDH1A1POLBSMN1; SMN2ESR1
SCHEMBL7219098 0.77 CA2 (0.43) CA2ALDH1A1POLBSMN1; SMN2ESR1
SCHEMBL865062 0.77 CA2 (0.43) CA2ALDH1A1POLBSMN1; SMN2ESR1
Hydrochloric Acid SCHEMBL29891850 0.77 MLYCD (0.44) CA2ALDH1A1POLBSMN1; SMN2ESR1
SCHEMBL25135063 0.75 TAS1R3 (0.46) CA2ALDH1A1POLBSMN1; SMN2ESR1
SCHEMBL24687767 0.75 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2ESR1
SCHEMBL7281863 0.75 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2ESR1
SCHEMBL25135055 0.75 TAS1R3 (0.46) CA2ALDH1A1POLBSMN1; SMN2ESR1
SCHEMBL22298130 0.75 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2ESR1

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-7211241-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 US disclosed
US-6861043-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AG (DE) 2005-03-01 US disclosed
US-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
US-20020187101-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AG (DE) 2002-12-12 US disclosed
US-6426059-B1 NUCLEAR MAGNETIC RESONANCE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-07-30 US disclosed
US-6248306-B1 MEDICAL DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-19 US disclosed
US-6177060-B1 NMR OR X-RAY LYMPHOGRAPHY IMAGES SCHERING AKTIENGESEUSCHAFT (DE) 2001-01-23 US disclosed
US-6166200-A Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
US-6063361-A ADMINISTERING TO A PATIENT AT LEAST ONE CASCADE POLYMER COMPLEX AND SUBJECTING THE PATIENT TO A RADIOLOGY DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-6057419-A DRUGS AND IMAGES SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
US-5874061-A PARAMAGNETIC CONTRAST AGENTS FOR BOTH NUCLEAR SPIN AND COMPUTOR TOMOGRAPHY AND MAGNETIC RESONANCE IMAGING; MARKING VASCULAR SPACE (BLOOD-POOL AGENTS); BIOCOMPATIBILITY; HIGH SIGNAL INTENSITY, THEREFORE A LOWER DOSAGE USED SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
US-5820849-A DIAGNOSIS WITH NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-13 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 (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-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes ZYX, CCNY, MOK CA2 838/4885ALDH1A1 4835/4885POLB 88/4885
US-20020187101-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes TFPI, LYN, SYK CA2 3368/4885ALDH1A1 4854/4885POLB 101/4885

“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.