SCHEMBL2096252

SCHEMBL2096252

CC(C)Oc1ccc([S])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.52
KMT2A Q03164 2/20 0.50
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.45
GLA P06280 1/20 0.44
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL125543 0.86 ALDH1A3 (0.64) ALDH1A3KMT2APARP10ALDH1A1POLB
Hydrogen Peroxide SCHEMBL28902806 0.80 KMT2A (0.70) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL2643806 0.80 PARP10 (0.41) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL6282894 0.78 ALDH1A3 (0.56) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL197284 0.78 ALDH1A3 (0.56) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL2091722 0.77 ACACB (0.40) ALDH1A3POLBGAASMN1; SMN2FFAR4
SCHEMBL2215535 0.77 CYP1A2 (0.33) ALDH1A3KMT2APARP10MAPK1CYP1A2
SCHEMBL104201 0.76 ALDH1A3 (0.54) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL22325682 0.76 ALDH1A1 (0.54) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL29171514 0.76 ALDH1A3 (0.54) ALDH1A3KMT2APARP10ALDH1A1POLB

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487553-B2 Boranophosphate analogues of cyclic nucleotides BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2016-11-08 US claimed
EP-2691403-B1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA VERTRIEB GMBH (DE) 2016-05-18 EP claimed
EP-1511757-B1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV MEDISCH CENTRUM UTRECHT (NL) 2015-11-04 EP claimed
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2014-03-27 US claimed
EP-2691403-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG Life Science Institute Forschungslabor Und Biochemica-Vertrieb GmbH (DE) 2014-02-05 EP claimed
WO-2012130829-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2012-10-04 WO claimed
US-7906491-B2 Compounds for modulating the activity of exchange proteins directly activated by cAMP (Epacs) UNIVISITAIR MEDISCH CENTRUM UTRECHT (NL) 2011-03-15 US claimed
WO-2007006544-A2 CYCLIC ADENOSINE MONOPHOSPHATE COMPOUNDS FOR THE TREATMENT OF IMMUNE-RELATED DISORDERS VRIJE UNIVERSITEIT BRUSSEL (BE) 2007-01-18 WO claimed
US-20060100166-A1 Compounds for modulating the activity of exchange proteins directly activated by camp (epacs) KYLIX B.V. (NL) 2006-05-11 US claimed
EP-1511757-A1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) Kylix B.V. (NL) 2005-03-09 EP claimed
WO-2003104250-A1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) KYLIX, B. V. (NL) 2003-12-18 WO claimed
CN-113711113-B Optical material, polymerizable composition for optical material, plastic lens, goggles, infrared sensor, and infrared camera 三井化学株式会社 2023-07-28 CN disclosed
CN-113711113-A Optical material, polymerizable composition for optical material, plastic lens, eyewear, infrared sensor, and infrared camera 三井化学株式会社 2021-11-26 CN disclosed
US-9487553-B2 Boranophosphate analogues of cyclic nucleotides BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2016-11-08 US disclosed
EP-2691403-B1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA VERTRIEB GMBH (DE) 2016-05-18 EP disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP 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-20060100166-A1 Compounds for modulating the activity of exchange proteins directly activated by camp (epacs) RAPGEF3, CREB1, PDE4C ALDH1A3 3542/4885KMT2A 4454/4885PARP10 1387/4885
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES NT5C2, NT5E, ENPP3 ALDH1A3 1046/4885KMT2A 4464/4885PARP10 844/4885

“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.